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Benzoic acid 3-methyl-2-butenyl ester Structure

Benzoic acid 3-methyl-2-butenyl ester

Chemical Properties

Boiling point 107 °C / 2.3mmHg
Density  1.03
refractive index  1.5190-1.5210
FEMA  4203 | PRENYL BENZOATE
Flash point 134 °C
form  clear liquid
Specific Gravity 1.020
color  Colorless to Light orange to Yellow
Odor at 100.00 %. balsam fruity chocolate ylang tea
Odor Type balsamic
JECFA Number 2063
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKey INVWRXWYYVMFQC-UHFFFAOYSA-N
SMILES C\C(C)=C\COC(=O)c1ccccc1
LogP 4.10
EPA Substance Registry System 2-Buten-1-ol, 3-methyl-, benzoate (5205-11-8)

Safety Information

Hazard Codes  N
Risk Statements  50
Safety Statements  61
WGK Germany  WGK 2
RTECS  EM9473900
TSCA  TSCA listed
HS Code  2916399090
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 2

Usage And Synthesis

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