CAS 2150-02-9 2,2'-Oxybisethanethiol (HCID 75073)

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Basic information

CAS: 2150-02-9
Standard SMILES: SCCOCCS
InChIKey: CNDCQWGRLNGNNO-UHFFFAOYSA-N
Molecular formula: C4H10OS2
Average molar mass: 138.3 g/mol
Monoisotopic mass: 138.01730694

Names & identifiers

Preferred name: 2,2'-Oxybisethanethiol
IUPAC: 2-(2-sulfanylethoxy)ethanethiol
English name: 2,2'-Oxydiethanethiol
Molecular formula: C4H10OS2
Molecular weight: 138.25

Names & synonyms

2-Mercaptoethyl ether2150-02-9Bis(2-mercaptoethyl) ether2,2'-OxydiethanethiolEthanethiol, 2,2'-oxybis-3-Oxapentane-1,5-dithiol2,2'-Oxydi-1-ethanethiolEthyl ether dimercaptan2,2'-Dimercaptodiethyl ether2,2'-Oxybisethanethiol.beta.-Mercaptoethyl etherEthanethiol, 2,2'-oxydi-

Show more names

2,2'-Oxybis(ethane-1-thiol)HS-PEG1-CH2CH2SH2,2’-oxybis-ethanethioDimercaptodiethyl ether

1,5-Dimercapto-3-oxapentaneQO2W9LA7NA.beta.,.beta.'-Dimercaptodiethyl etherbeta-Mercaptoethyl etherNSC 6751NSC-6751NSC 51020NSC-51020

Database identifiers

CAS: 2150-02-9
PubChem CID: 75073
DTXSID: DTXSID6062206
UNII: QO2W9LA7NA
EC Number: 218-421-5
Nikkaji: J208.812F

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 11.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 28.9

Physicochemical properties

Melting point: 80 °C · −80 °C(lit.)
Boiling point: 217 °C · 217 °C(lit.)
Density: 1.114 g/mL · 1.114 g/mL at 25 °C(lit.)
refractive index: 1.52 · 1.5200-1.5240
Flash point: 209 °F · 209 °F
storage temp.: 2 · 2-8°C, stored under nitrogen
form: liquid
pka: 9.34 · 9.34±0.10(Predicted)
color: Colorless to Almost colorless
CAS DataBase Reference: 2150 · 2150-02-9(CAS DataBase Reference)
FDA UNII: 2 W9LA7NA · QO2W9LA7NA
EPA Substance Registry System: 2 · Ethanethiol, 2,2'-oxybis- (2150-02-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Ethanethiol, 2,2'-oxybis-

Ethanethiol, 2,2'-oxybis-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 9-13-23
wgk: 3
tsca: TSCA listed
hs_code: 2930.90.9250
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H227-H315-H319
Precautionary statements: P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501