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Benzyldimethylcarbinyl butyrate Structure

Benzyldimethylcarbinyl butyrate

Chemical Properties

Boiling point 237-255 °C(lit.)
Density  0.969 g/mL at 25 °C(lit.)
vapor pressure  0.164Pa at 20℃
FEMA  2394 | ALPHA,ALPHA-DIMETHYLPHENETHYL BUTYRATE
refractive index  n20/D 1.4839(lit.)
Flash point >230 °F
Specific Gravity 0.96
color  Colorless liquid
Odor plum aroma
Odor Type floral
biological source synthetic
Water Solubility  16.11mg/L at 20℃
JECFA Number 1656
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
InChIKey SHSGYHAHMQLYRB-UHFFFAOYSA-N
SMILES CCCC(=O)OC(C)(C)Cc1ccccc1
LogP 4.7 at 25℃
CAS DataBase Reference 10094-34-5(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, 1,1-dimethyl-2-phenylethyl ester(10094-34-5)
EPA Substance Registry System Butanoic acid, 1,1-dimethyl-2-phenylethyl ester (10094-34-5)

Safety Information

Hazard Codes  Xi,N
Risk Statements  38-43-51/53
Safety Statements  36/37-61
RIDADR  UN3082 9/PG 3
WGK Germany  2
RTECS  ET0130000
TSCA  TSCA listed
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 3
Skin Irrit. 2
Toxicity LD50 orl-rat: >5 g/kg FCTXAV 18,667,80

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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