104-57-4

Name Benzyl formate
CAS 104-57-4
EINECS(EC#) 203-214-4
Molecular Formula C8H8O2
MDL Number MFCD00014128
Molecular Weight 136.15
MOL File 104-57-4.mol

Chemical Properties

Appearance Colorless liquid; fruity-spicy odor. Resembles benzyl acetate in many respects but differs in its greater volatility. Miscible with alcohols, ketones, oils, aromatic, aliphatic and halogenated hydrocarbons; insoluble in water.
Melting point  3.6℃
Boiling point  203 °C(lit.)
density  1.088 g/mL at 25 °C(lit.)
vapor pressure  1.69hPa at 20℃
FEMA  2145
refractive index  n20/D 1.511(lit.)
Fp  180 °F
storage temp.  Inert atmosphere,Room Temperature
form  clear liquid
color  Colorless liquid
Specific Gravity 1.091 (20/4℃)
Odor powerful fruity, spicy odor
biological source synthetic
Odor Type floral
Water Solubility  Insoluble in water, soluble in organic solvents, oils.
JECFA Number 841
Merck  14,1134
BRN  2041319
Henry's Law Constant 2.0×100 mol/(m3Pa) at 25℃, Brockbank (2013)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey UYWQUFXKFGHYNT-UHFFFAOYSA-N
SMILES O=COCC1=CC=CC=C1
LogP 1.79 at 21.9℃
CAS DataBase Reference 104-57-4(CAS DataBase Reference)
NIST Chemistry Reference Formic acid, phenylmethyl ester(104-57-4)
EPA Substance Registry System 104-57-4(EPA Substance)

Safety Data

Hazard Codes  Xn
Risk Statements 
R21/22:Harmful in contact with skin and if swallowed .
Safety Statements 
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  NA 1993 / PGIII
WGK Germany  1
RTECS  LQ5400000
TSCA  Yes
REACH Registrations Active
HS Code  29151300
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Toxicity
LD50 orl-rat: 1400 mg/kg FCTXAV 11,1019,73

Hazard Information

Material Safety Data Sheet(MSDS)

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