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W385101

Sigma-Aldrich

3-Mercaptohexyl acetate

≥98%, FG

Synonym(s):

3-sulfanylhexyl acetate

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About This Item

Empirical Formula (Hill Notation):
C8H16O2S
CAS Number:
136954-20-6
Molecular Weight:
176.28
FEMA Number:
3851
MDL number:
MFCD00792516
UNSPSC Code:
12164502
PubChem Substance ID:
329830663
Flavis number:
12.234

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117

assay

≥98%

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

green; fruity; alliaceous; tropical

SMILES string

CCCC(S)CCOC(C)=O

InChI

1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3

InChI key

JUCARGIKESIVLB-UHFFFAOYSA-N

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Related Categories

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

163.4 °F

flash_point_c

73 °C

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