benzoic acid

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Names

[ CAS No. ]:
65-85-0

[ Name ]:
benzoic acid

[Synonym ]:
Benzoic acid
EINECS 200-618-2
MFCD00002398
Nalfurafine Impurity 10

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
249.3±9.0 °C at 760 mmHg

[ Melting Point ]:
121-125 °C(lit.)

[ Molecular Formula ]:
C7H6O2

[ Molecular Weight ]:
122.12

[ Flash Point ]:
121.1±0.0 °C

[ Exact Mass ]:
122.036781

[ PSA ]:
37.30000

[ LogP ]:
1.89

[ Vapour density ]:
4.21 (vs air)

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.564

[ Stability ]:
Stable. Combustible. Incompatible with strong bases, strong oxidizing agents, alkalies.

[ Water Solubility ]:
Slightly soluble. 0.34 g/100 mL

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG0875000
CHEMICAL NAME :
Benzoic acid
CAS REGISTRY NUMBER :
65-85-0
LAST UPDATED :
199712
DATA ITEMS CITED :
28
MOLECULAR FORMULA :
C7-H6-O2
MOLECULAR WEIGHT :
122.13
WISWESSER LINE NOTATION :
QVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human
DOSE/DURATION :
6 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - dermatitis, allergic (after systemic exposure)
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>26 mg/m3/1H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1940 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression Gastrointestinal - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1460 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1200 mg/m3/4W-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - fibrosis (interstitial) Related to Chronic Data - death

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
5 mmol/L
REFERENCE :
PNASA6 Proceedings of the National Academy of Sciences of the United States of America. (National Academy of Sciences, Printing & Pub. Office, 2101 Constitution Ave., Washington, DC 20418) V.1- 1915- Volume(issue)/page/year: 79,1171,1982 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 10210 No. of Facilities: 2798 (estimated) No. of Industries: 35 No. of Occupations: 52 No. of Employees: 77830 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 10210 No. of Facilities: 9179 (estimated) No. of Industries: 85 No. of Occupations: 81 No. of Employees: 155176 (estimated) No. of Female Employees: 55139 (estimated)

Safety Information

[ Symbol ]:

GHS05, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H315-H318-H372

[ Precautionary Statements ]:
P280-P305 + P351 + P338 + P310-P314

[ Target Organs ]:
Lungs

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22;R36/37/38;R42/43

[ Safety Phrases ]:
S26-S45-S37/39-S24-S22-S36/37-S24/25-S23-S53

[ RIDADR ]:
UN 3077 9/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
DG0875000

[ HS Code ]:
4002191900

Synthetic Route

Precursor & DownStream

Precursor

  • hydrobenzoin
  • 4-Chlorobenzoin
  • Benzyl alcohol
  • 4-Chlorobenzoic acid
  • Benzyl bromide
  • Benzoin
  • 4-Bromobenzoic acid
  • Methyl benzoate
  • Chlorobenzene
  • carbon monoxide

DownStream

  • silicon benzoate
  • 2-Pyridinethiol
  • phenyl-pyridin-2-ylsulfanyl-methanone
  • benzoic acid,hex-1-en-2-ol
  • Diethyl ether
  • 5-chloro-2-phenyl-1,3-benzoxazole
  • 2-Phenylbenzoxazole
  • 6-methoxy-2-phenyl-1,3-benzothiazole

Customs

[ HS Code ]: 4002191900

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Related Compounds

  • benzoicacid
  • 2-butylbenzoic acid
  • 3-benzyloxycarbonylamino-benzoic acid
  • p-Ethoxybenzoic acid
  • 3-butoxybenzoic acid
  • 2-sulfinobenzoic acid
  • Benzoic acid geranyl
  • (3S)-3-hydroxy-3-(5-hydroxy-2-nitrophenyl)propanoic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • (2S)-4-(1,3-thiazol-2-yl)butan-2-amine
  • (1S,2R)-2-Methoxycyclobutane-1-carboxylic acid
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4-(1,3-Benzothiazol-2-yl)-1-fluorobutan-2-ol