CAS 10494-75-4 2-Methoxyethanethiol (HCID 3014644)

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Basic information

CAS: 10494-75-4
Standard SMILES: COCCS
InChIKey: VHXDADVHQVXSKC-UHFFFAOYSA-N
Molecular formula: C3H8OS
Average molar mass: 92.16 g/mol
Monoisotopic mass: 92.02958588

Names & identifiers

Preferred name: 2-Methoxyethanethiol
IUPAC: 2-methoxyethanethiol
English name: 2-methoxyethanethiol
Molecular formula: C3H8OS
Molecular weight: 92.16

Names & synonyms

2-MethoxyethanethiolEthanethiol, 2-methoxy-UNII-95GL0I9Q622-methoxyethyl mercaptan95GL0I9Q62EINECS 234-021-3O-METHYLMERCAPTOETHANOLDTXSID701468432-MERCAPTOETHYL METHYL ETHERRefChem:87910DTXCID5069334234-021-3

Show more names

Me-PEG-SH2-Methoxy-1-ethanethiol1-Mercapto-2-methoxyethaneEthanethiol, 2-methoxy- (6CI,7CI,8CI,9CI)

10494-75-42-methoxyethane-1-thiolMFCD09809104Ethanethiol, 2-methoxy-(6CI,7CI,8CI,9CI)2-methoxyethyl-mercaptanSCHEMBL43246SCHEMBL43247SCHEMBL8215907

Database identifiers

CAS: 10494-75-4
PubChem CID: 3014644
DTXSID: DTXSID70146843
UNII: 95GL0I9Q62
EC Number: 234-021-3
Nikkaji: J212.430K

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 10.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 5
Formal charge: 0
Complexity: 16.4

Physicochemical properties

Boiling point: 112 °C · 112 °C
Density: 0.935 · 0.935±0.06 g/cm3(Predicted)
pka: 9.71 · 9.71±0.10(Predicted)
FDA UNII: 95 GL0I9Q62 · 95GL0I9Q62
Symbol(GHS): 7 · GHS07,GHS02,GHS06
Signal word: Danger
Hazard statements: 332 · H332-H319-H301-H226-H335-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P310-P321-P330-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS02,GHS06
Hazard statements: H332-H319-H301-H226-H335-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P310-P321-P330-P405-P501