ChemicalBook--->CAS DataBase List--->2084-19-7

2084-19-7

2084-19-7 Structure

2084-19-7 Structure
IdentificationMore
[Name]

2-Pentanethiol
[CAS]

2084-19-7
[Synonyms]

2-MERCAPTO PENTANE
2-PENTANETHIOL
SEC-AMYL MERCAPTAN
1-Methylbutanethiol
1-Methylbutyl hydrosulfide
2-Pentanethiol(7CI,8CI,9CI)
pentane-2-thiol
2-PENTANETHIOL 97+%
Pentan-2-thiol
2-MERCAPTO PENTANE 96%
2-Mercaptopentane, sec-Amyl mercaptan
sec-Pentyl mercaptan
1-Methyl-1-butanethiol
[EINECS(EC#)]

218-224-4
[Molecular Formula]

C5H12S
[MDL Number]

MFCD00053516
[Molecular Weight]

104.21
[MOL File]

2084-19-7.mol
Chemical PropertiesBack Directory
[Melting point ]

-168.95°C
[Boiling point ]

101 °C(lit.)
[density ]

0.827 g/mL at 25 °C(lit.)
[FEMA ]

3792
[refractive index ]

n20/D 1.4410(lit.)
[Fp ]

80 °F
[form ]

liquid
[pka]

10.96±0.10(Predicted)
[Odor]

sulfury gassy
[Odor Type]

sulfurous
[JECFA Number]

514
[InChI]

InChI=1S/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
[InChIKey]

QUSTYFNPKBDELJ-UHFFFAOYSA-N
[SMILES]

CC(S)CCC
[LogP]

2.66
[CAS DataBase Reference]

2084-19-7(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Pentanethiol(2084-19-7)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3.1
[PackingGroup ]

II
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Pentanethiol(2084-19-7).msds
Hazard InformationBack Directory
[Chemical Properties]

2-Pentanethiol has an unpleasant odor and is sulfuraceous and gassy.
[Occurrence]

Reported found in guava and yellow passion fruit.
[Definition]

ChEBI: 2-Pentanethiol is an alkanethiol.
[Aroma threshold values]

Aroma characteristics at 0.1%: sulfurous, ripe fruity, pineapple and tropical fruitlike with a sautéed and roasted savory nuance.
[Taste threshold values]

Taste characteristics at 0.1 ppm: sulfurous coffee and bacon with roasted savory and tropical pulpy pineapplelike notes.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Pentanethiol(2084-19-7)13CNMR
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