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Key Documents

W352101

Sigma-Aldrich

Propyl mercaptan

≥97%

Synonym(s):

1-Propanethiol, n-Propylmercaptan, Mercaptan C3

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About This Item

Linear Formula:
CH3CH2CH2SH
CAS Number:
Molecular Weight:
76.16
FEMA Number:
3521
Beilstein:
1696860
EC Number:
Council of Europe no.:
11816
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
12.071
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

Halal
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

FDA 21 CFR 172.515

vapor density

2.54 (vs air)

vapor pressure

122 mmHg ( 20 °C)

Assay

≥97%

refractive index

n20/D 1.426 (lit.)

bp

67-68 °C (lit.)

mp

−113 °C (lit.)

density

0.820 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

onion; alliaceous

SMILES string

CCCS

InChI

1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3

InChI key

SUVIGLJNEAMWEG-UHFFFAOYSA-N

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General description

Propyl mercaptan is a volatile sulfur compound that is reported to occur in onion, potato and wine.

Disclaimer

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

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Flam. Liq. 2 - Skin Sens. 1B

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-4.0 °F - closed cup

Flash Point(C)

-20 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Food flavors and odors, volatile sulfur compounds in potatoes.
Gumbmann MR & Burr HK.
Journal of Agricultural and Food Chemistry, 12(5), 404-408 (1964)
Estimation of volatile sulphur compounds in beer.
Walker MD
Journal of the Institute of Brewing, 98(4), 283-287 (1992)
Onion flavor and odor, the volatile flavor components of onions.
Carson JF & Wong FF
Journal of Agricultural and Food Chemistry, 9(2), 140-143 (1961)
An improved gas chromatographic method for the detection and quantitation of mercaptans in blood.
H A Mardini et al.
Clinica chimica acta; international journal of clinical chemistry, 113(1), 35-41 (1981-06-02)
E Meschkat et al.
Chemical research in toxicology, 14(1), 110-117 (2001-02-15)
The potent skin sensitizers hex-1-ene- and hexane-1,3-sultone have been synthesized isotopically labeled with (13)C at reactive sites. The reactivity of 2-[(13)C]- and 3-[(13)C]hex-1-ene-1,3-sultones and of 3-[(13)C]hexane-1,3-sultone toward a series of model nucleophiles for protein amino acid residues, i.e., butylamine, diethylamine

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