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513-53-1

513-53-1 Structure

513-53-1 Structure
IdentificationMore
[Name]

2-Butanethiol
[CAS]

513-53-1
[Synonyms]

1-METHYL-1-PROPANETHIOL
1-METHYL-1-PROPANTHIOL
2-BUTANETHIOL
2-Butyl mercaptan
S-BUTYL MERCAPTAN
SEC-BUTANETHIOL
SEC-BUTYL MERCAPTAN
(±)-butane-2-thiol
2-Mercaptobutane
mercaptanbutyliquesecondaire
Sec-butyl hydrosulfide
sec-Butyl thioalcohol
sec-Butyl thiol
sec-butylthioalcohol
sec-butylthiol
sec-C4H9SH
Secondary butylmercaptan
secondarybutylmercaptan
2-BUTANETHIOL 98+%
SEC-BUTYL MERCAPTAN 93+%
[EINECS(EC#)]

208-165-2
[Molecular Formula]

C4H10S
[MDL Number]

MFCD00004865
[Molecular Weight]

90.19
[MOL File]

513-53-1.mol
Chemical PropertiesBack Directory
[Melting point ]

-165°
[Boiling point ]

84.6-85.2 °C(lit.)
[density ]

0.83 g/mL at 25 °C(lit.)
[vapor pressure ]

142 mm Hg ( 37.7 °C)
[refractive index ]

n20/D 1.436(lit.)
[Fp ]

70 °F
[storage temp. ]

Store below +30°C.
[solubility ]

1.32g/l
[form ]

liquid
[pka]

10.92±0.10(Predicted)
[color ]

Colorless to Almost colorless
[Specific Gravity]

0.83
[Odor]

sulfurous
[explosive limit]

1.7-9.6%(V)
[Odor Threshold]

0.00003ppm
[Merck ]

1578
[InChI]

1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
[InChIKey]

LOCHFZBWPCLPAN-UHFFFAOYSA-N
[SMILES]

SC(CC)C
[LogP]

2.180
[CAS DataBase Reference]

513-53-1(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Butanethiol(513-53-1)
[EPA Substance Registry System]

2-Butanethiol (513-53-1)
Safety DataBack Directory
[Hazard Codes ]

F,Xi
[Risk Statements ]

R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2347 3/PG 2
[WGK Germany ]

3
[F ]

13
[TSCA ]

TSCA listed
[HazardClass ]

3.1
[PackingGroup ]

II
[HS Code ]

29309070
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 2
[Hazardous Substances Data]

513-53-1(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 5176 mg/kg LD50 dermal Rabbit > 2000 mg/kg
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Butanethiol(513-53-1).msds
Hazard InformationBack Directory
[Uses]

sec-Butyl Mercaptan is used in the preparation of arylsulfides via palladium catalyzed thioetherification of aryl bromides and iodides.
[Purification Methods]

Purify it as for 1-butanethiol. [Beilstein 1 IV 1584.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Butanethiol(513-53-1)MS
2-Butanethiol(513-53-1)1HNMR
2-Butanethiol(513-53-1)13CNMR
2-Butanethiol(513-53-1)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

513-53-1(sigmaaldrich)
[TCI AMERICA]

sec-Butyl Mercaptan,>93.0%(GC)(513-53-1)
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