ChemicalBook--->CAS DataBase List--->10032-15-2

10032-15-2

10032-15-2 Structure

10032-15-2 Structure
IdentificationMore
[Name]

Hexyl 2-methylbutyrate
[CAS]

10032-15-2
[Synonyms]

(+/-)-2-METHYLBUTYRIC ACID HEXYL ESTER
FEMA 3499
HEXYL 2-METHYLBUTANOATE
(+/-)-HEXYL 2-METHYLBUTYRATE
HEXYL-2-METHYLBUTYRATE
HEXYL METHYLBUTYRATE
2-Methylbutanoic acid, n-hexyl ester
2-methylbutanoicacid,n-hexylester
2-methyl-butanoicacihexylester
2-methyl-butyricacihexylester
Butanoicacid,2-methyl-,hexylester
Butyric acid, 2-methyl-, hexyl ester
n-Hexyl 2-methyl butyrate
n-Hexyl 2-methylbutanoate
CIS-3-HEXENYL HEXANOATE 98+%
HEXYL 2-METHYLBUTANOATE 95+% NATURAL &
2-Methylbutanoic acid, hexyl ester
hexylmethylbutyrate,hexyl2-methylbutyrate
Hexyl-2-methylbutyrat
HEXYL-2-METHYLBUTYRATE, NATURAL
[EINECS(EC#)]

233-106-2
[Molecular Formula]

C11H22O2
[MDL Number]

MFCD00048880
[Molecular Weight]

186.29
[MOL File]

10032-15-2.mol
Chemical PropertiesBack Directory
[Melting point ]

-63.1°C (estimate)
[Boiling point ]

217-219 °C(lit.)
[density ]

0.857 g/mL at 25 °C(lit.)
[FEMA ]

3499
[refractive index ]

n20/D 1.4185(lit.)
[Fp ]

183 °F
[form ]

neat
[Odor]

at 100.00 %. green waxy fruity apple spicy tropical
[biological source]

synthetic
[Odor Type]

green
[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)
[NIST Chemistry Reference]

Butanoic acid, 2-methyl-, hexyl ester(10032-15-2)
[EPA Substance Registry System]

10032-15-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Danger
[Hazard statements ]

H411
[Precautionary statements ]

P273
[Hazard Codes ]

N
[Risk Statements ]

R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Hexanol
Hazard InformationBack Directory
[Description]

Hexyl 2-methylbutyrate has a strong, green, fruity odor and a sweet, fruity taste reminiscent of unripe strawberry. May be synthesized by esterification of n-hexanol with 2 -methylbutanoic acid.
[Chemical Properties]

Hexyl 2-methylbutyrate has a strong, green, fruity odor and a sweet, fruity taste reminiscent of unripe strawberry.
[Occurrence]

Reported found in apple, apricot, sweet cherry, grapes, strawberry, nectarine, banana, mentha oils, white wine, thymus, yellow passion fruit, plum, quince, cherimoya, babaco fruit (Carica pentagona Heilborn), spineless monkey orange and lamb’s lettuce
[Uses]

Hexyl 2-methylbutyrate is used as a flavoring agent to blend apple, mint, and pineapple flavorings, and is mainly used to formulate fruit and tobacco flavorings.
[Definition]

ChEBI: Hexyl 2-methylbutanoate is a butyrate ester. It is functionally related to a hexan-1-ol.
[Preparation]

By esterification of n-hexanol with 2-methylbutanoic acid
[Aroma threshold values]

Detection: 22 to 430 ppb
[Taste threshold values]

Taste characteristics at 20 ppm: green, waxy, unripe fruity, apple and banana with a fresh, fleshy nuance.
Spectrum DetailBack Directory
[Spectrum Detail]

Hexyl 2-methylbutyrate(10032-15-2)1HNMR
Hexyl 2-methylbutyrate(10032-15-2)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

10032-15-2(sigmaaldrich)
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