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Safety Information

W351200

Sigma-Aldrich

2-Methyltetrahydrothiophen-3-one

≥97%, FG

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Synonym(s):
blackberry thiophenone
Empirical Formula (Hill Notation):
C5H8OS
CAS Number:
Molecular Weight:
116.18
FEMA Number:
3512
EC Number:
Council of Europe no.:
11601
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
15.023
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Kosher

reg. compliance

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

Assay

≥97%

refractive index

n20/D 1.508 (lit.)

bp

82 °C/28 mmHg (lit.)

density

1.119 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

berry; fruity; sulfurous

SMILES string

CC1SCCC1=O

InChI

1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3

InChI key

YMZZPMVKABUEBL-UHFFFAOYSA-N

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Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

159.8 °F

Flash Point(C)

71 °C

Regulatory Information

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