CAS 1068-47-9 1-Mercapto-2-propanol (HCID 102545)

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Basic information

CAS: 1068-47-9
Standard SMILES: CC(O)CS
InChIKey: FETFXNFGOYOOSP-UHFFFAOYSA-N
Molecular formula: C3H8OS
Average molar mass: 92.16 g/mol
Monoisotopic mass: 92.02958588

Names & identifiers

Preferred name: 1-Mercapto-2-propanol
IUPAC: 1-sulfanylpropan-2-ol
English name: 1-Mercapto-2-propanol
Molecular formula: C3H8OS
Molecular weight: 92.16

Names & synonyms

1-Mercapto-2-propanol1-Mercaptopropan-2-ol2-Propanol, 1-mercapto-EINECS 213-946-6DTXSID80893058RefChem:433420DTXCID901323002213-946-61-Sulfanylpropan-2-ol1068-47-9MFCD00004878mercapto-2-propanol

Show more names

3-Mercapto-2-propanol3-Mercaptopropane-2-ol2-HYDROXY-1-PROPANETHIOL1-Mercapto-2-propanol 95%1-MERCAPTO-2-PROPANOL 95+%

1-Mercapto-propan-2-olSCHEMBL154444SCHEMBL246003SCHEMBL3668996SCHEMBL6036973SCHEMBL84707641-Mercapto-2-propanol, 95%AKOS015912547

Database identifiers

CAS: 1068-47-9
PubChem CID: 102545
DTXSID: DTXSID80893058
EC Number: 213-946-6
Nikkaji: J60.723A

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 21.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 22.9

Physicochemical properties

Boiling point: 58 · 58-60 °C/17 mmHg (lit.)
Density: 1.048 g/mL · 1.048 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.486(lit.)
Flash point: 145 °F · 145 °F
storage temp.: 2 · 2-8°C, stored under nitrogen
form: liquid
Appearance: Colorless to light yellow Liquid
InChI: 1S/C3H8OS/c1-3(4)2-5/h3-5H,2H2,1H3
InChIKey: FETFXNFGOYOOSP-UHFFFAOYSA-N
SMILES: CC(O)CS
LogP: 0.12 · 0.120 (est)
UNSPSC Code: 12352103 · 12352103
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information2-Propanol, 1-mercapto-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3334
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
Storage Class: 10 - Combustible liquids
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

Uses1-Mercapto-2-propanol can be used as a self-assembled monolayer on the gold surfaces with potential use in electrochemical applications. It may also be used as a chiral agent which can be used in the chemical analysis of enantiomers.

General Description1-Mercapto-2-propanol is a chain transferring agent that is the sixth series of hydrogen bonded 1,2-propanols which can be used to form polymeric chains with low molecular weight and short chain length.