Hexyl 2-methylbutyrate Structure

Hexyl 2-methylbutyrate

Chemical Properties

Melting point -63.1°C (estimate)
Boiling point 217-219 °C(lit.)
Density  0.857 g/mL at 25 °C(lit.)
refractive index  n20/D 1.4185(lit.)
FEMA  3499 | HEXYL 2-METHYLBUTANOATE
FLAVIS Number 09.507 | Hexyl 2-methylbutyrate
Flash point 183 °F
Odor at 100.00 %. green waxy fruity apple spicy tropical
Odor Type green
biological source synthetic
JECFA Number 208
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3
InChIKey YUECNVSODFDKOQ-UHFFFAOYSA-N
SMILES CCCCCCOC(=O)C(C)CC
LogP 4.24
CAS DataBase Reference 10032-15-2(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) HEXYL 2-METHYLBUTYRATE
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII UI17LL5Q4P
NIST Chemistry Reference Butanoic acid, 2-methyl-, hexyl ester(10032-15-2)
EPA Substance Registry System Butanoic acid, 2-methyl-, hexyl ester (10032-15-2)
UNSPSC Code 12164502
NACRES NA.21

Safety

Symbol(GHS) Environment (GHS09)
Signal wordDanger
Hazard statements H411
Precautionary statements P273
Hazard Codes  N
Risk Statements  51/53
Safety Statements  61
RIDADR  UN 3077 9/PG 3
WGK Germany  3
RTECS  ET5675000
TSCA  TSCA listed
HS Code  29154000
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 2

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Hexyl 2-methylbutyrate Chemical Properties,Usage,Production

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