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Safety Information

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
NACRES:
NA.21

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 Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

163.4 °F

Flash Point(C)

73 °C

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

W385101-100G-K:4548173358925
W385101-VAR-K:
W385101-BULK-K:
W385101-SAMPLE-K:
W385101-1KG-K:

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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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