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Benzyl Acid Structure

Benzyl Acid

  • Product NameBenzyl Acid
  • CAS65-85-0
  • CBNumberCB00125246
  • MFC7H6O2
    Lewis structure
  • MW122.12
  • EINECS200-618-2
  • MDL NumberMFCD00002398
  • MOL File65-85-0.mol
  • MSDS FileSDS

Chemical Properties

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)
refractive index  1.504
FEMA  2131 | BENZOIC ACID
Flash point 250 °F
storage temp.  2-8°C
solubility  soluble, clear, colorless (95% ethanol, 1gm/3mL)
form  Solid
pka 4.19(at 25℃)
color  White to yellow-beige to orange
PH 3.66(1 mM solution);3.12(10 mM solution);2.6(100 mM solution);
Odor at 100.00 %. faint balsam urine
Odor Type balsamic
Water Solubility  Slightly soluble. 0.34 g/100 mL
Merck  14,1091
JECFA Number 850
BRN  636131
Henry's Law Constant (x 10-8 atm?m3/mol): 7.02 (calculated, U.S. EPA, 1980a)
Stability Stable. Combustible. Incompatible with strong bases, strong oxidizing agents, alkalies.
InChIKey WPYMKLBDIGXBTP-UHFFFAOYSA-N
LogP 1.870
Substances Added to Food (formerly EAFUS) BENZOIC ACID
SCOGS (Select Committee on GRAS Substances) Benzoic Acid
FDA 21 CFR 175.300; 310.545
CAS DataBase Reference 65-85-0(CAS DataBase Reference)
EWG's Food Scores 1-3
FDA UNII 8SKN0B0MIM
NIST Chemistry Reference Benzoic acid(65-85-0)
EPA Substance Registry System Benzoic acid (65-85-0)

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H315-H318-H372
Precautionary statements P280-P302+P352-P305+P351+P338+P310-P314
Hazard Codes  Xn,T,Xi
Risk Statements  22-36-42/43-36/37/38-40-63-43-23/24/25-45-41-37/38-20/21/22-48/23-38-67-37
Safety Statements  26-45-37/39-24-22-36/37-24/25-23-53-36-63-39
RIDADR  UN 3077 9/PG 3
WGK Germany  1
RTECS  DG0875000
21
Autoignition Temperature 570 °C
Hazard Note  Harmful
TSCA  Yes
HS Code  2916 31 00
Hazardous Substances Data 65-85-0(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 1700 mg/kg LD50 dermal Rabbit > 5000 mg/kg
NFPA 704:
1
1 0

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