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Key Documents

W349909

Sigma-Aldrich

Hexyl 2-methylbutanoate

≥95%, FCC, FG

Synonym(s):

Hexyl 2-methylbutyrate

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About This Item

Linear Formula:
C2H5CH(CH3)CO2(CH2)5CH3
CAS Number:
Molecular Weight:
186.29
FEMA Number:
3499
EC Number:
Council of Europe no.:
4132
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.507
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Halal
Kosher

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 172.515

assay

≥95%

refractive index

n20/D 1.419 (lit.)

bp

217-219 °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; spicy; fruity; waxy; tropical

SMILES string

CCCCCCOC(=O)C(C)CC

InChI

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

InChI key

YUECNVSODFDKOQ-UHFFFAOYSA-N

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pictograms

Environment

hcodes

pcodes

Hazard Classifications

Aquatic Chronic 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

183.2 °F - closed cup

flash_point_c

84 °C - closed cup

ppe

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


Certificates of Analysis (COA)

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