Basic information
- CAS
108843-02-3- Standard SMILES
CCC(O)C(O)(c1ccccc1)c1ccccc1- InChIKey
DWBLJCMBQHQWRY-UHFFFAOYSA-N- Molecular formula
- C16H18O2
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.13067981
Names & identifiers
- Preferred name
- 1,1-Diphenyl-butane-1,2-diol
- IUPAC
- 1,1-diphenylbutane-1,2-diol
- English name
- 1,1-diphenylbutane-1,2-diol
- Molecular formula
- C16H18O2
- Molecular weight
- 242.31292
Names & synonyms
1,1-DIPHENYL-BUTANE-1,2-DIOLRefChem:410313108843-02-3683-018-7NSC31596SCHEMBL416117NSC-31596AKOS0243223611,1-diphenylbutane-1,2-diol
Database identifiers
- CAS
108843-02-3- PubChem CID
- 233239
- EC Number
- 683-018-7
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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