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Butyl benzoate Structure

Butyl benzoate

Chemical Properties

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.)
Flash point 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 Butyl benzoate (136-60-7)

Safety Information

Hazard Codes  Xn,Xi
Risk Statements  22-36/37/38
Safety Statements  26-36
WGK Germany  2
RTECS  DG4925000
TSCA  TSCA listed
HS Code  29163100
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
Hazardous Substances Data 136-60-7(Hazardous Substances Data)
Toxicity LD50 orally in rats: 5.14 g/kg (Smyth)

MSDS

Usage And Synthesis

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