4-Sulfanylbutan-1-ol

HCID 548261CAS 14970-83-3

Substructure search Find similar structures

Basic information

Standard SMILES: OCCCCS
InChIKey: NEJMTSWXTZREOC-UHFFFAOYSA-N
Molecular formula: C4H10OS
Average molar mass: 106.19 g/mol
Monoisotopic mass: 106.04523594

Names & identifiers

Preferred name: 4-Sulfanylbutan-1-ol
IUPAC: 4-sulfanylbutan-1-ol
English name: 4-Mercapto-1-butanol
Molecular formula: C4H10OS
Molecular weight: 106.19

Names & synonyms

4-sulfanylbutan-1-olRefChem:526726628-399-24-Mercapto-1-butanol14970-83-31-Butanol, 4-mercapto-4-mercaptobutan-1-olMFCD000396604-mercaptobutanol4-hydroxybutanethiol4-mercapto-l-butanol4-Sulfanyl-1-butanol #

Show more names

4-Mercapto-1-butanol 95%4-MERCAPTO-1-BUTANOL 97+%

SCHEMBL223551-?Butanol, 4-?mercapto-SCHEMBL8117064-Mercapto-1-butanol, 95%4-Mercapto-1-butanol, 96%SCHEMBL1806116SCHEMBL28006078DTXSID00338310

Database identifiers

CAS: 14970-83-3
PubChem CID: 548261
DTXSID: DTXSID00338310
EC Number: 628-399-2
Nikkaji: J803.179G

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 21.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 6
Formal charge: 0
Complexity: 23.5

Physicochemical properties

Melting point: -100 °C · -100°C (estimate)
Boiling point: 102 · 102-103 °C20 mm Hg(lit.)
Density: 1.03 g/mL · 1.03 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.494(lit.)
Flash point: 202 °F · 202 °F
form: liquid (estimate)
pka: 10.33 · 10.33±0.10(Predicted)
InChI: InChI=1S/C4H10OS/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKey: NEJMTSWXTZREOC-UHFFFAOYSA-N
SMILES: C(O)CCCS
UNSPSC Code: 12352103 · 12352103
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 3334 · UN 3334
WGK Germany: 3 · 3
F: 10 · 10-13-23
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10-13-23
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
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesUsed to form a hydrophilic sparse ionic monolayer to protected metal nanoparticles to create Highly Concentrated Nano-Au and Nano-Ag "Inks" that can be Sintered to Near-Bulk Conductivity at 150 °C.