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Merck

W385101

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
UNSPSC Code:
12164502
PubChem Substance ID:
329830663
Flavis number:
12.234
NACRES:
NA.21
MDL number:
MFCD00792516
Organoleptic:
green; fruity; alliaceous; tropical
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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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

biological source

synthetic

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

Quality Level

300, 400

Related Categories

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

163.4 °F

flash_point_c

73 °C

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN6897
SHBN6899
SHBN5150
SHBM1927
SHBL4649

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Alvaro Lezaeta et al.
Food research international (Ottawa, Ont.), 108, 595-603 (2018-05-08)
We developed a sensory-based methodology to aromatically enrich wines using different aromatic fractions recovered during fermentations of Sauvignon Blanc must. By means of threshold determination and generic descriptive analysis using a trained sensory panel, the aromatic fractions were characterized, selected
JianCai Zhu et al.
Food chemistry, 245, 775-785 (2017-12-31)
The volatile compounds of mulberries obtained from three cultivars (M. nigra, Y1, M. Macroura, Y2 and M. Alba, Y3) were investigated by gas chromatography-olfactometry (GC-O), odor activity value (OAV), gas chromatography-mass spectrometry (GC-MS) and flame photometric detection (FPD). The results
Toru Kishimoto et al.
Journal of bioscience and bioengineering, 126(3), 330-338 (2018-04-24)
Gas chromatography-olfactometry (GC-O) analyses of the aroma components extracted from Pilsner-type beer were performed. The concentrations of all 76 components, that were identified after the GC-O analyses, were accurately quantitated. The aroma compounds were then used in the following aroma
Leandro Dias Araujo et al.
Food research international (Ottawa, Ont.), 98, 79-86 (2017-06-15)
Elemental sulfur is a fungicide traditionally used to control Powdery Mildew in the production of grapes. The presence of sulfur residues in grape juice has been associated with increased production of hydrogen sulfide during fermentation, which could take part in
Xiaotong Lyu et al.
Food chemistry, 346, 128914-128914 (2021-01-09)
The antioxidants sulfur dioxide (50 ppm) and ascorbic acid (100 ppm) were added to grapes soon after harvest at crushing. The chemical composition and sensory profile of Sauvignon Blanc, Pinot Gris and Chardonnay wines were examined, made from grapes collected at three

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