136-60-7

Name Butyl benzoate
CAS 136-60-7
EINECS(EC#) 205-252-7
Molecular Formula C11H14O2
MDL Number MFCD00009439
Molecular Weight 178.23
MOL File 136-60-7.mol
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Chemical Properties

Appearance clear yellowish oily liquid
Melting point  -22 °C
Boiling point  249 °C (lit.)
density  1.01 g/mL at 25 °C(lit.)
vapor pressure  8.5Pa at 20℃
refractive index  n20/D 1.498(lit.)
Fp  223 °F
storage temp.  room temp
solubility  0.06g/l
form  Oily Liquid
color  Clear yellow
Odor at 100.00 %. mild amber balsam fruity
Odor Type balsamic
Water Solubility  34.1mg/L at 20℃
Merck  14,1552
BRN  1867073
Henry's Law Constant 2.5×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Cosmetics Ingredients Functions FRAGRANCE
PRESERVATIVE
Cosmetic Ingredient Review (CIR) Butyl benzoate (136-60-7)
InChI 1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey XSIFPSYPOVKYCO-UHFFFAOYSA-N
SMILES CCCCOC(=O)c1ccccc1
LogP 3.3
CAS DataBase Reference 136-60-7(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, butyl ester(136-60-7)
EPA Substance Registry System 136-60-7(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319
Precautionary statements  P264-P270-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xn,Xi
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  2
RTECS  DG4925000
TSCA  Yes
REACH Registrations Active
HS Code  29163100
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
Safety Profile
Moderately toxic by skin contact. Mildly toxic by ingestion. Severe skin irritant and moderate eye irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use Co2, dry chemical, water mist, fog, spray. When heated to decomposition it emits acrid and irritating fumes. See also ESTERS.
Hazardous Substances Data 136-60-7(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 5.14 g/kg (Smyth)

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Material Safety Data Sheet(MSDS)

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