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Key Documents

W389706

Sigma-Aldrich

2-Propanethiol

≥95%

Synonym(s):

Isopropyl mercaptan

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About This Item

Linear Formula:
(CH3)2CHSH
CAS Number:
Molecular Weight:
76.16
FEMA Number:
3897
Beilstein:
605260
EC Number:
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
12.197
NACRES:
NA.21

biological source

synthetic

vapor density

2.6 (vs air)

vapor pressure

455 mmHg ( 37.8 °C)

Assay

≥95%

refractive index

n20/D 1.426 (lit.)

bp

57-60 °C (lit.)

mp

−131 °C (lit.)

density

0.82 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

meaty; onion; sulfurous

SMILES string

CC(C)S

InChI

1S/C3H8S/c1-3(2)4/h3-4H,1-2H3

InChI key

KJRCEJOSASVSRA-UHFFFAOYSA-N

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General description

2-Propanethiol is a volatile sulfur compound that is reported to occur in irradiated beef.

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Signal Word

Danger

Hazard Statements

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Flam. Liq. 2 - Skin Sens. 1

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-23.8 °F - closed cup

Flash Point(C)

-31 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Irradiation flavor and the volatile components of beef.
Wick EL, et al.
Advances in Chemistry Series, 12?25, 12?25-12?25 (1967)

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