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Merck
CN

W351200

2-Methyltetrahydrothiophen-3-one

≥97%, FG

Synonym(s):

blackberry thiophenone

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About This Item

Empirical Formula (Hill Notation):
C5H8OS
CAS Number:
Molecular Weight:
116.18
FEMA Number:
3512
Council of Europe no.:
11601
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
15.023
EC Number:
237-183-3
NACRES:
NA.21
MDL number:
Organoleptic:
berry; fruity; sulfurous
Grade:
FG, Kosher
Biological source:
synthetic
Food allergen:
no known allergens
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SMILES string

CC1SCCC1=O

InChI key

YMZZPMVKABUEBL-UHFFFAOYSA-N

InChI

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

biological source

synthetic

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

Quality Level

Related Categories

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

159.8 °F

flash_point_c

71 °C

Regulatory Information

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