Basic information
- CAS
1576-13-2- Standard SMILES
CCC(c1ccc(O)cc1)c1ccc(O)cc1- InChIKey
YKPAABNCNAGAAJ-UHFFFAOYSA-N- Molecular formula
- C15H16O2
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.11502975
Overview
1,1-Bis(4-hydroxyphenyl)propane is a diarylmethane.
Names & identifiers
- Preferred name
- 4,4'-Propane-1,1-diyldiphenol
- IUPAC
- 4-[1-(4-hydroxyphenyl)propyl]phenol
- English name
- Phenol, 4,4'-propylidenebis-
- Molecular formula
- C15H16O2
- Molecular weight
- 228.29
Names & synonyms
4,4'-Propane-1,1-diyldiphenol1576-13-24,4'-propylidenediphenol1,1-Bis(4-hydroxyphenyl)propanePhenol, 4,4'-propylidenebis-21X1TQ2EMMDTXSID3044594RefChem:506880DTXCID1024594635-810-94-[1-(4-hydroxyphenyl)propyl]phenol4,4'-(Propane-1,1-diyl)diphenol
Show more names
4,4′-Propylidenebis[phenol
UNII-21X1TQ2EMMSCHEMBL74326SCHEMBL9063767SCHEMBL28322858CHEBI:79723YKPAABNCNAGAAJ-UHFFFAOYSA-NAKOS024325181NS00004387
Database identifiers
- CAS
1576-13-2- PubChem CID
- 4201081
- DTXSID
DTXSID3044594- ChEBI
CHEBI:79723- UNII
- 21X1TQ2EMM
- EC Number
- 635-810-9
- Nikkaji
- J1.516.440I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 132 °C · 132°C
- Boiling point
- 330.1 °C · 330.1°C (rough estimate)
- Density
- 1.0657 · 1.0657 (rough estimate)
- refractive index
- 1.5542 · 1.5542 (estimate)
- FDA UNII
- 21 X1TQ2EMM · 21X1TQ2EMM
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H317-H400
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS09
- Hazard statements
- H318-H302-H317-H400
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
上海敏寒医药科技有限公司17612188245 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
Additional notes
DefinitionChEBI: 1,1-Bis(4-hydroxyphenyl)propane is a diarylmethane.
Related reactions
2 records
Compound notes
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