4-Sulfanylbutan-1-ol
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Basic information
- CAS
14970-83-3- 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 propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 21.2 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Upstream & downstream products
Downstream products
Related reactions
22 records
Compound notes
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