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2-Methylbutyl acetate Structure

2-Methylbutyl acetate

Chemical Properties

Melting point -74.65°C (estimate)
Boiling point 138 °C741 mm Hg(lit.)
Density  0.876 g/mL at 25 °C(lit.)
refractive index  n20/D 1.401(lit.)
FEMA  3644 | 2-METHYLBUTYL ACETATE
Flash point 95 °F
color  APHA: ≤100
Odor at 100.00 %. over ripe fruit sweet banana juicy fruit
Odor Type fruity
biological source synthetic
JECFA Number 138
Henry's Law Constant 2.8×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
Exposure limits TLV-TWA: 50 ppm (266 mg/m3); TLV-STEL: 100 ppm (532 mg/m3)
Major Application flavors and fragrances
InChI 1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
InChIKey XHIUFYZDQBSEMF-UHFFFAOYSA-N
SMILES CCC(C)COC(C)=O
LogP 2.12
CAS DataBase Reference 624-41-9(CAS DataBase Reference)
NIST Chemistry Reference 1-Butanol, 2-methyl-, acetate(624-41-9)
EPA Substance Registry System 1-Butanol, 2-methyl-, acetate (624-41-9)

Safety Information

Risk Statements  10-66
Safety Statements  23-25
RIDADR  UN 1104 3/PG 3
OEB A
OEL TWA: 100.0 ppm; 525.0 mg/m3
WGK Germany  1
RTECS  EL5466666
TSCA  TSCA listed
HazardClass  3.2
PackingGroup  III
HS Code  29153900
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3

MSDS

Usage And Synthesis

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