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Merck
CN

W350001

Hexyl 3-methylbutanoate

≥99%

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About This Item

Linear Formula:
(CH3)2CHCH2CO2(CH2)5CH3
CAS Number:
Molecular Weight:
186.29
FEMA Number:
3500
Council of Europe no.:
10692
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.529
EC Number:
233-105-7
NACRES:
NA.21
MDL number:
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biological source

synthetic

assay

≥99%

refractive index

n20/D 1.418 (lit.)

bp

215 °C (lit.)

density

0.857 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

apple; green; fruity; sweet

SMILES string

CCCCCCOC(=O)CC(C)C

InChI

1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3

InChI key

RSDDTPVXLMVLQE-UHFFFAOYSA-N



Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

190.4 °F - closed cup

flash_point_c

88 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)



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