Basic information
- CAS
1023-94-5- Standard SMILES
OCCCC(O)(c1ccccc1)c1ccccc1- InChIKey
FMSXBGXFTZSEAU-UHFFFAOYSA-N- Molecular formula
- C16H18O2
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.13067982
Names & identifiers
- Preferred name
- 1,1-Diphenylbutane-1,4-diol
- IUPAC
- 1,1-diphenylbutane-1,4-diol
- English name
- 1,1-diphenylbutane-1,4-diol
- Molecular formula
- C16H18O2
- Molecular weight
- 242.31
Names & synonyms
1,1-Diphenylbutane-1,4-diolEINECS 213-827-9DTXSID70144884NSC 85870RefChem:410316DTXCID2067375213-827-91023-94-51,4-Butanediol, 1,1-diphenyl-1,1-diphenyl-butane-1,4-diol1,1-diphenyl-1,4-butanediolNSC85870
Show more names
1,1-diphenyl-1,4-butandiol
NCIOpen2_0049091,1diphenylbutane-1,4-diol1,1-diphenylbutan-1,4-diolSCHEMBL2006125CHEMBL1977801MFCD00185464NSC-85870AKOS005067763
Database identifiers
- CAS
1023-94-5- PubChem CID
- 96679
- DTXSID
DTXSID70144884- ChEMBL
CHEMBL1977801- EC Number
- 213-827-9
- Nikkaji
- J23.079K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 108 °C · 108 °C
- Boiling point
- 434.8 · 434.8±45.0 °C(Predicted)
- Density
- 1.131 · 1.131
- pka
- 13.4 · 13.40±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers8 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
迈奇化学股份有限公司15660870300 15737400781 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
9 records
Compound notes
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