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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
grade:
Halal
Kosher
biological source:
synthetic
food allergen:
no known allergens
Pricing and availability is not currently available.

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[1], potato[2] and wine.[3]

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ0527
SHBP9505
SHBP0342
SHBN9590
SHBN0091

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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)
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)
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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