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    benzaldehyde
    CAS No.: 100-52-7 Formula: C7H6O Molecular Weight: 106.12200
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    benzaldehyde

    CAS No.: 100-52-7 Formula: C7H6O Molecular Weight: 106.12200
    Suppliers: All (285) China Suppliers (194) Price Available (34) Contractor (23)

    Description

    Benzaldehyde (C6H5CHO) is an organic compound consisting of a benzene ring with a formyl substituent. It is the simplest aromatic aldehyde and one of the most industrially useful.
    This colorless liquid has a characteristic almond-like odor. Benzaldehyde is the primary component of bitter almond oil and can be extracted from a number of other natural sources. Synthetic benzaldehyde is the flavoring agent in imitation almond extract, which is used to flavor cakes and other baked goods.

    Basic Info

    Chemical Name benzaldehyde
    Synonyms

    Benzaldehyde,redistilled,AcroSeal; Benzoylhydride; Benzyaldehyde; Benzaldehyde; BALD; NA 1989; phenylmethanal; Benzaldehyd; FEMA 2127; Benaldehyde; Expand

    CAS No. 100-52-7
    Molecular Formula C7H6O
    Molecular Weight 106.12200
    PSA 17.07000
    LogP 1.49910

    Numbering system

    PubChem number 24866203
    MDL number MFCD00003299
    RTECS number CU4375000
    EINECS number 202-860-4
    BRN number 471223

    Properties

    Appearance & Physical State colorless liquid
    Density 1.045
    Boiling Point 179oC
    Melting Point -26oC
    Freezing Point -56℃
    Flash Point 64oC
    Refractive Index 1.544-1.546
    Stability Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, reducing agents, steam. Air, light and moisture-sensitive.
    Storage Condition Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
    Vapor Density 3.7 (vs air)
    Vapor Pressure 4 mm Hg ( 45 °C)

    Safety Info

    RTECS CU4375000
    Hazard Class 9
    Safety Statements S24
    HS Code 2912210000
    WGK Germany 1
    Packing Group III
    RIDADR UN 1989
    Risk Statements R22
    Hazard Codes Xn
    SDS 1.0 Expand

    SDS 1.0

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    SAFETY DATA SHEETS

    According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

    Version: 1.0

    Creation Date: Aug 10, 2017

    Revision Date: Aug 10, 2017

    1.Identification

    1.1 GHS Product identifier

    Product name benzaldehyde

    1.2 Other means of identification

    Product number -
    Other names Benzoylhydride

    1.3 Recommended use of the chemical and restrictions on use

    Identified uses For industry use only. Food additives -> Flavoring Agents
    Uses advised against no data available

    1.4 Supplier's details

    Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
    Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
    Xuhui District, Shanghai, China
    Telephone +86(21)64956998
    Fax +86(21)54365166

    1.5 Emergency phone number

    Emergency phone number +86-400-6021-666
    Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

    2.Hazard identification

    2.1 Classification of the substance or mixture

    Acute toxicity - Oral, Category 4

    2.2 GHS label elements, including precautionary statements

    Pictogram(s)
    Signal word

    Warning

    Hazard statement(s)

    H302 Harmful if swallowed

    Precautionary statement(s)
    Prevention

    P264 Wash ... thoroughly after handling.

    P270 Do not eat, drink or smoke when using this product.

    Response

    P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

    P330 Rinse mouth.

    Storage

    none

    Disposal

    P501 Dispose of contents/container to ...

    2.3 Other hazards which do not result in classification

    none

    3.Composition/information on ingredients

    3.1 Substances

    Chemical name Common names and synonyms CAS number EC number Concentration
    benzaldehyde benzaldehyde 100-52-7 none 100%

    4.First-aid measures

    4.1 Description of necessary first-aid measures

    General advice

    Consult a physician. Show this safety data sheet to the doctor in attendance.

    If inhaled

    Fresh air, rest.

    In case of skin contact

    Remove contaminated clothes. Rinse skin with plenty of water or shower.

    In case of eye contact

    First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

    If swallowed

    Rinse mouth. Rest.

    4.2 Most important symptoms/effects, acute and delayed

    Inhalation of concentrated vapor may irritate eyes, nose and throat. Liquid is irritating to the eyes. Prolonged contact with the skin may cause irritation. (USCG, 1999)

    4.3 Indication of immediate medical attention and special treatment needed, if necessary

    Immediate First Aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention.

    5.Fire-fighting measures

    5.1 Extinguishing media

    Suitable extinguishing media

    Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

    5.2 Specific hazards arising from the chemical

    Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. (ERG, 2016)

    5.3 Special protective actions for fire-fighters

    Wear self-contained breathing apparatus for firefighting if necessary.

    6.Accidental release measures

    6.1 Personal precautions, protective equipment and emergency procedures

    Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

    6.2 Environmental precautions

    Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

    6.3 Methods and materials for containment and cleaning up

    ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations. Keep in suitable, closed containers for disposal.

    7.Handling and storage

    7.1 Precautions for safe handling

    Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

    7.2 Conditions for safe storage, including any incompatibilities

    Separated from incompatible materials. See Chemical Dangers. Well closed. Ventilation along the floor. Cool. Store in an area without drain or sewer access. Keep in the dark.Store under nitrogen. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Air, light, and moisture sensitive.

    8.Exposure controls/personal protection

    8.1 Control parameters

    Occupational Exposure limit values

    no data available

    Biological limit values

    no data available

    8.2 Appropriate engineering controls

    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

    8.3 Individual protection measures, such as personal protective equipment (PPE)

    Eye/face protection

    Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

    Skin protection

    Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

    Respiratory protection

    Wear dust mask when handling large quantities.

    Thermal hazards

    no data available

    9.Physical and chemical properties

    Physical state colorless liquid
    Colour Strongly refractive liquid, becoming yellowish on keeping
    Odour Characteristic odor or volatile oil of almond
    Melting point/ freezing point -56°C(lit.)
    Boiling point or initial boiling point and boiling range 179°C(lit.)
    Flammability Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
    Lower and upper explosion limit / flammability limit Lower: 1.4% by vol
    Flash point 62°C(lit.)
    Auto-ignition temperature 192.22°C (USCG, 1999)
    Decomposition temperature no data available
    pH no data available
    Kinematic viscosity 1.321 cp at 25°C
    Solubility less than 0.1 mg/mL at 19.5°C
    Partition coefficient n-octanol/water (log value) log Kow = 1.48
    Vapour pressure 4 mm Hg ( 45 °C)
    Density and/or relative density 1.045
    Relative vapour density 3.7 (vs air)
    Particle characteristics no data available

    10.Stability and reactivity

    10.1 Reactivity

    no data available

    10.2 Chemical stability

    Stable under recommended storage conditions.

    10.3 Possibility of hazardous reactions

    Combustible liquid.A nontoxic, combustible liquid, reacts with oxidizing reagents. BENZALDEHYDE must be blanketed with an inert gas at all times since it is oxidized readily by air to benzoic acid [Kirk-Othmer, 3rd ed., Vol. 3, 1978, p. 736]. In contact with strong acids or bases it will undergo an exothermic condensation reaction [Sax, 9th ed., 1996, p. 327]. A violent reaction was observed on contact with peroxyacids (peroxyformic acid) [D'Ans, J. et al., Ber., 1915, 48, p. 1136]. An explosion occurred when pyrrolidine, benzaldehyde, and propionic acid were heated to form porphyrins.

    10.4 Conditions to avoid

    no data available

    10.5 Incompatible materials

    Incompatible materials: Strong oxidizing agents, strong reducing agents, strong bases, alkali metals, aluminum, iron, phenols, oxygen.

    10.6 Hazardous decomposition products

    Combustion may produce irritants and toxic gases.

    11.Toxicological information

    Acute toxicity

    • Oral: LD50 Guinea pig oral 1000 mg/kg
    • Inhalation: LC50 Rat inhalation 1.0-5 mg/L/4 hr
    • Dermal: no data available

    Skin corrosion/irritation

    no data available

    Serious eye damage/irritation

    no data available

    Respiratory or skin sensitization

    no data available

    Germ cell mutagenicity

    no data available

    Carcinogenicity

    no data available

    Reproductive toxicity

    no data available

    STOT-single exposure

    no data available

    STOT-repeated exposure

    no data available

    Aspiration hazard

    no data available

    12.Ecological information

    12.1 Toxicity

    • Toxicity to fish: LC50; Species: Pimephales promelas (Fathead minnow); Concentration: 35 mg/L for 24 hr /Conditions of bioassay not specified in source examined
    • Toxicity to daphnia and other aquatic invertebrates: LC50; Species: Daphnia magna (Water flea); Concentration: 50 mg/L for 24 hr /Conditions of bioassay not specified in source examined
    • Toxicity to algae: EC50; Species: Anabaena cylindrica (Blue-Green Algae) 65000 cells/mL; Conditions: freshwater, static, 20°C; Concentration: >100000 ug/L for 3 hr; Effect: population, decreased photosynthesis />95% purity
    • Toxicity to microorganisms: no data available

    12.2 Persistence and degradability

    AEROBIC: Benzaldehyde had a 5 day theoretical BOD of 36% using the AFNOR T test and inoculum from 3 polluted surface waters(1). Using a sewage inocula and standard dilution water, benzaldehyde had a 10-day theoretical BOD of 62%(2). Theoretical BODs of 41-70% were observed (at 500 ppm concentration) in Warburg respirometers using 3 different activated sludge seeds and 6 days of inubation(3). Theoretical BOD of 13% was observed (at 500 ppm concentration) in a Warburg respirometer using a digester sludge seed acclimated to benzene and 6 hr incubation(4). Theoretical BODs of 30-38% were observed (at 250 ppm concentration) in Warburg respirometers using activated sludge seeds acclimated to phenol, benzyl alcohol or anthranilic acid and 12 hr incubation(5). About 99% of initial benzaldehyde was removed (based upon COD) in 5 days of incubation using an activated sludge inocula that had been acclimated to benzaldehyde for 20 days(6). Five-day theoretical BODs of 77.2% and 63.5% were measured using the standard dilution method and seawater dilution method, respectively(7). Benzaldehyde, present at 100 mg/L, reached 66% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L and the Japanese MITI test which classified the compound as readily biodegradable(8).

    12.3 Bioaccumulative potential

    An estimated BCF of 4.4 was calculated in fish for benzaldehyde(SRC), using a log Kow of 1.48(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low.

    12.4 Mobility in soil

    Using a structure estimation method based on molecular connectivity indices(1), the Koc of benzaldehyde can be estimated to be 11(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzaldehyde is expected to have very high mobility in soil.

    12.5 Other adverse effects

    no data available

    13.Disposal considerations

    13.1 Disposal methods

    Product

    The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

    Contaminated packaging

    Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

    14.Transport information

    14.1 UN Number

    ADR/RID: UN1990 IMDG: UN1990 IATA: UN1990

    14.2 UN Proper Shipping Name

    ADR/RID: BENZALDEHYDE
    IMDG: BENZALDEHYDE
    IATA: BENZALDEHYDE

    14.3 Transport hazard class(es)

    ADR/RID: 9 IMDG: 9 IATA: 9

    14.4 Packing group, if applicable

    ADR/RID: III IMDG: III IATA: III

    14.5 Environmental hazards

    ADR/RID: no IMDG: no IATA: no

    14.6 Special precautions for user

    no data available

    14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

    no data available

    15.Regulatory information

    15.1 Safety, health and environmental regulations specific for the product in question

    Chemical name Common names and synonyms CAS number EC number
    benzaldehyde benzaldehyde 100-52-7 none
    European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
    EC Inventory Listed.
    United States Toxic Substances Control Act (TSCA) Inventory Listed.
    China Catalog of Hazardous chemicals 2015 Not Listed.
    New Zealand Inventory of Chemicals (NZIoC) Listed.
    Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
    Vietnam National Chemical Inventory Listed.
    Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

    16.Other information

    Information on revision

    Creation Date Aug 10, 2017
    Revision Date Aug 10, 2017

    Abbreviations and acronyms

    • CAS: Chemical Abstracts Service
    • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
    • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
    • IMDG: International Maritime Dangerous Goods
    • IATA: International Air Transportation Association
    • TWA: Time Weighted Average
    • STEL: Short term exposure limit
    • LC50: Lethal Concentration 50%
    • LD50: Lethal Dose 50%
    • EC50: Effective Concentration 50%

    References

    • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
    • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
    • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
    • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
    • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
    • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
    • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
    • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
    • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

    Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
    MSDS Expand
    1H NMR : 400 MHz in CDCl3Expand

    NMR Spectrum 1H NMR : 400 MHz in CDCl3

    Collapse

    C7 H6 O 0.05 ml : 0.5 ml CDCl3
    benzaldehyde

    Assign. Shift(ppm)
    A 10.002
    B 7.868
    C 7.608
    D 7.511

    IR : liquid filmExpand
    Mass Expand
    Raman : 4880 A,150M,liquidExpand
    ESR : ANION RADICAL, ELECTROLYTIC REDUCTION IN DMEExpand
    Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
    Administration onto the skin Standard Draize test Rodent - rabbit 500 mg/24H -
    Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 1300 mg/kg 1.Behavioral-somnolence (general depressed activity)
    2.Behavioral-coma
    Inhalation LC - Lethal concentration Rodent - rat >500 mg/m3 1.Sense Organs and Special Senses (Eye)-conjunctive irritation
    2.Behavioral-somnolence (general depressed activity)
    3.Lungs, Thorax, or Respiration-other changes
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