benzoic acid

Modify Date: 2019-06-10 15:34:55

benzoic acid Structure
benzoic acid structure
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Common Name benzoic acid
CAS Number 65-85-0 Molecular Weight 122.12
Density 1.2±0.1 g/cm3 Boiling Point 249.3±9.0 °C at 760 mmHg
Molecular Formula C7H6O2 Melting Point 121-125 °C(lit.)
MSDS Chinese USA Flash Point 121.1±0.0 °C
Symbol GHS05 GHS08
GHS05, GHS08
Signal Word Danger

 Use of benzoic acid


Benzoic Acid is an aromatic alcohol existing naturally in many plants and is a common additive to food, drinks, cosmetics and other products. It acts as preservatives through inhibiting both bacteria and fungi.

 Names

Name benzoic acid
Synonym More Synonyms

 benzoic acid Biological Activity

Description Benzoic Acid is an aromatic alcohol existing naturally in many plants and is a common additive to food, drinks, cosmetics and other products. It acts as preservatives through inhibiting both bacteria and fungi.
Related Catalog
Solvent
In Vitro:

10 mM in DMSO

Solubility
1 mM 8.1887 mL 40.9433 mL 81.8867 mL
5 mM 1.6377 mL 8.1887 mL 16.3773 mL
10 mM 0.8189 mL 4.0943 mL 8.1887 mL
Storage
Powder -20°C 3 years
  4°C 2 years
In solvent -80°C 6 months
  -20°C 1 month
Shipping Room temperature in continental US; may vary elsewhere
SMILES O=C(O)C1=CC=CC=C1
References

[1]. Nair B, et al. Final report on the safety assessment of Benzyl Alcohol, Benzoic Acid, and Sodium Benzoate. Int J Toxicol. 2001;20 Suppl 3:23-50.

 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

 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
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

 Customs

HS Code 4002191900

 Articles178

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Price: ¥550/10 mM * 1 mL in DMSO

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