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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:
107-03-9
Molecular Weight:
76.16
FEMA Number:
3521
Beilstein:
1696860
EC Number:
203-455-5
Council of Europe no.:
11816
MDL number:
MFCD00004900
UNSPSC Code:
12164502
PubChem Substance ID:
24901758
Flavis number:
12.071
NACRES:
NA.21

biological source

synthetic

Quality Level

400

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

H225,H302,H317,H410

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Estimation of volatile sulphur compounds in beer.
Walker MD
Journal of the Institute of Brewing, 98(4), 283-287 (1992)
Food flavors and odors, volatile sulfur compounds in potatoes.
Gumbmann MR & Burr HK.
Journal of Agricultural and Food Chemistry, 12(5), 404-408 (1964)
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)
Zeljko Sljivancanin et al.
Journal of the American Chemical Society, 124(49), 14789-14794 (2002-12-06)
Density functional theory calculations are carried out for the adsorption of a chiral molecule, (S)- and (R)-HSCH(2)CHNH(2)CH(2)P(CH(3))(2), on a chiral surface, Au(17 11 9)(S)(). The S-enantiomer is found to bind more strongly than the R-enantiomer by 8.8 kJ/mol, evidencing that
Noelia B Luque et al.
Langmuir : the ACS journal of surfaces and colloids, 27(23), 14514-14521 (2011-10-06)
Periodic density functional calculations have been carried out to investigate both the thiol adsorption on Au(111) surface and the reaction mechanism for the formation of the self-assembled monolayers, taking propanethiol as a representative example. The effect of coverage and surface
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