1-(Benzylthio)acetone
Basic information
- CAS
10230-69-0- Standard SMILES
CC(=O)CSCc1ccccc1- InChIKey
OIEDQMIEPJIRFT-UHFFFAOYSA-N- Molecular formula
- C10H12OS
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.06088618
Names & identifiers
- Preferred name
- 1-(Benzylthio)acetone
- IUPAC
- 1-benzylsulfanylpropan-2-one
- English name
- 1-(Benzylthio)acetone
- Molecular formula
- C10H12OS
- Molecular weight
- 180.27
Names & synonyms
10230-69-01-(Benzylthio)acetoneEINECS 233-552-8DTXSID501448871-[(Phenylmethyl)thio]-2-propanone1-((Phenylmethyl)thio)-2-propanoneRefChem:427128DTXCID7067378233-552-81-(Benzylthio)-2-propanone(Benzylthio)acetone1-(benzylsulfanyl)propan-2-one
Show more names
A-(BENZYLTHIO)ACETONE1-(Benzylsulfanyl)acetone1-(Phenylmethylthio)-2-propanone
1-benzylsulfanylpropan-2-one1-(benzylthio)propan-2-one2-Propanone, 1-[(phenylmethyl)thio]-.alpha.-(Benzylthio)acetoneMFCD000262411-(phenylmethylthio)acetonebenzylthio-2-propanonealpha-(Benzylthio)acetone
Database identifiers
- CAS
10230-69-0- PubChem CID
- 82472
- DTXSID
DTXSID50144887- UNII
- E9J6F7N54U
- EC Number
- 233-552-8
- Nikkaji
- J227.125G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 53 · 53-54 °C
- Boiling point
- 155 °C · 155 °C
- Density
- 1 · 1,09 g/cm3
- refractive index
- 1.558 · 1.5580
- Flash point
- 100 °C · >100°C
- BRN
- 1866268 · 1866268
- CAS DataBase Reference
- 10230 · 10230-69-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · 1-(Benzylthio)acetone(10230-69-0)
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 319 · H319-H334-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P285-P304+P341-P342+P311-P501
- Safety Statements
- 24 · 24/25
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- safety_code
- 24/25
- Hazard statements
- H319-H334-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P285-P304+P341-P342+P311-P501
Chemistry & industry
Applications
Uses1-(Benzylthio)-2-propanone is a building block for organic synthesis processes.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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