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65-85-0

Name Benzoic acid
CAS 65-85-0
EINECS(EC#) 200-618-2
Molecular Formula C7H6O2
MDL Number MFCD00002398
Molecular Weight 122.12
MOL File 65-85-0.mol

Chemical Properties

Appearance Benzoic acid is a white crystalline or flaky solid with a faint, pleasant odor.
Melting point  121-125 °C(lit.)
Boiling point  249 °C(lit.)
density  1.08
vapor density  4.21 (vs air)
vapor pressure  10 mm Hg ( 132 °C)
FEMA  2131
refractive index  1.504
Fp  250 °F
storage temp.  Store at RT.
solubility  soluble, clear, colorless (95% ethanol, 1gm/3mL)
form  Solid
pka 4.19(at 25℃)
color  White to yellow-beige to orange
Odor at 100.00 %. faint balsam urine
PH 2.5-3.5 (H2O, 20℃)(saturated solution)
Stability: Stable. Combustible. Incompatible with strong bases, strong oxidizing agents, alkalies.
Odor Type balsamic
Water Solubility  Slightly soluble. 0.34 g/100 mL
JECFA Number 850
Merck  14,1091
BRN  636131
Henry's Law Constant (x 10-8 atm?m3/mol): 7.02 (calculated, U.S. EPA, 1980a)
InChIKey WPYMKLBDIGXBTP-UHFFFAOYSA-N
LogP 1.870
Uses
Benzoic Acid is a preservative that occurs naturally in some foods such as cranberries, prunes, and cinnamon. it is most often used in the form of sodium benzoate because of the low aqueous solubility of the free acid. sodium benzoate is 180 times as soluble in water at 25°c as benzoic acid. the salt in solution is converted to the acid which is the active form. the optimum ph range for microbial inhi- bition is ph 2.5–4.0. it is used in acid foods such as carbonated bev- erages, fruit juices, and pickles. it is also termed benzoate of soda.
CAS DataBase Reference 65-85-0(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid(65-85-0)
EPA Substance Registry System 65-85-0(EPA Substance)

Safety Data

Hazard Codes  Xn,T,Xi
Risk Statements 
R22:Harmful if swallowed.
R36:Irritating to the eyes.
R42/43:May cause sensitization by inhalation and skin contact .
R36/37/38:Irritating to eyes, respiratory system and skin .
R40:Limited evidence of a carcinogenic effect.
R63:Possible risk of harm to the unborn child.
R43:May cause sensitization by skin contact.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R45:May cause cancer.
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
S24:Avoid contact with skin .
S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves .
S24/25:Avoid contact with skin and eyes .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S53:Avoid exposure-obtain special instruction before use .
S36:Wear suitable protective clothing .
RIDADR  UN 3077 9/PG 3
WGK Germany  1
RTECS  DG0875000
21
Autoignition Temperature 570 °C
Hazard Note  Harmful
TSCA  Yes
HS Code  29163900
Hazardous Substances Data 65-85-0(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 1700 mg/kg LD50 dermal Rabbit > 5000 mg/kg

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