2-Butanethiol, 2-methyl-

HCID 15511

Notes Reactions

Completing data — usually done within a minute

Substructure search Find similar structures

Basic information

CAS: 1679-09-0
Standard SMILES: CCC(C)(C)S
InChIKey: IQIBYAHJXQVQGB-UHFFFAOYSA-N
Molecular formula: C5H12S
Average molar mass: 104.218 g/mol
Monoisotopic mass: 104.06597138

Names & identifiers

Preferred name: 2-Butanethiol, 2-methyl-
IUPAC: 2-Methylbutane-2-thiol
English name: 2-METHYL-2-BUTANETHIOL
Molecular formula: C5H12S
Molecular weight: 104.21

Names & synonyms

tert-amylthiolt-pentanethioltert-pentanethiolMethylbutanethiolTERT-AMYL MERCAPTANtert-pentylmercaptan2-METHYL-2-BUTANETHI2-methyl-2-butanethio2-Methybutane-2-thioltert-Pentyl mercaptan

Database identifiers

CAS: 1679-09-0
PubChem CID: 15511
DTXSID: DTXSID5061877
UNII: 26IU670827
EC Number: 216-843-4
Nikkaji: J43.548A

Properties

Physicochemical properties

Melting point: -103.77 °C · -103.77°C
Boiling point: 99 °C · 99 °C
Density: 0 · 0,83 g/cm3
refractive index: 1.4354 · 1.4354
Flash point: -1 °C · -1°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: liquid
pka: 1 · pK1:11.35 (25°C)
Specific Heat Capacity: 1.9 J/ · Cp(liquid): 1.9 J/(g·K), at 25℃
Henry's Law Constant: 1.5 · 1.5×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
Stability: Air Sensitive, Hygroscopic
Cosmetics Ingredients Functions: PERFUMING
LogP: 2.63 · 2.630
CAS DataBase Reference: 1679 · 1679-09-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 26 IU670827 · 26IU670827
EPA Substance Registry System: 2 · 2-Butanethiol, 2-methyl- (1679-09-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P261-P271-P302+P352-P332+P313-P362+P364-P305+P351+P338-P337+P313-P304+P340-P312-P403+P233-P405-P501
Risk Statements: 11 · 11
Safety Statements: 9 · 9-16-33
RIDADR: 1993 · 1993
RTECS: 6570500 · EK6570500
TSCA: TSCA listed
HazardClass: 3.1 · 3.1
PackingGroup: II

Safety & regulation

Safety data

tsca: TSCA listed
rtecs: EK6570500
ridadr: 1993
risk_code: 11
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 9-16-33
hazard_class: 3.1
packing_group: II
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P261-P271-P302+P352-P332+P313-P362+P364-P305+P351+P338-P337+P313-P304+P340-P312-P403+P233-P405-P501