Basic information
- CAS
4286-23-1- Standard SMILES
C=C(C)c1ccc(O)cc1- InChIKey
JAGRUUPXPPLSRX-UHFFFAOYSA-N- Molecular formula
- C9H10O
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.07316494
Names & identifiers
- Preferred name
- p-Isopropenylphenol
- IUPAC
- 4-prop-1-en-2-ylphenol
- English name
- 4-Isopropenylphenol
- Molecular formula
- C9H10O
- Molecular weight
- 134.18
Names & synonyms
4-Isopropenylphenol4286-23-1p-Isopropenylphenol4-(1-Methylethenyl)phenolPhenol, 4-(1-methylethenyl)-2-(4-Hydroxyphenyl)propene4-(1-Propen-2-yl)phenol4-hydroxy-alpha-methylstyreneUNII-2QP218C90D2QP218C90D4-HYDROXY-.ALPHA.-METHYLSTYRENERefChem:169334
Show more names
4-(Prop-1-enValine Impurity 524-isoprophenylphenol4-(1-Methylvinyl)phenolα-Methyl-4-hydroxystyrene4-Hydroxy-α-methylstyrene4-Hydroxy α-methylstyrene
JAGRUUPXPPLSRX-UHFFFAOYSA-N4-(prop-1-en-2-yl)phenol4-prop-1-en-2-ylphenolMFCD001282364-iso-PropenylphenolCHEMBL2778084-Isopropenylphenol (Stabilized with ~1% Hydroquinone)p-hydroxy-alpha-methylstyrene
Database identifiers
- CAS
4286-23-1、64054-77-9- PubChem CID
- 584247
- DTXSID
DTXSID90962744- ChEMBL
CHEMBL277808- UNII
- 2QP218C90D
- EC Number
- 111-216-0
- Nikkaji
- J141.385F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 85 ℃ · 85℃
- Boiling point
- 136 · 136-137℃ (20 Torr)
- Density
- 1.003 · 1.003±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 97.7 · 97.7±8.4℃
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
- pka
- 9.8 · 9.80±0.15(Predicted)
- form
- Solid
- color
- White to Off-White
- Stability
- Light Sensitive, Temperature Sensitive
- InChI
- InChI=1S/C9H10O/c1-7(2)8-3-5-9(10)6-4-8/h3-6,10H,1H2,2H3
- InChIKey
- JAGRUUPXPPLSRX-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(C(C)=C)C=C1
- FDA UNII
- 2 QP218C90D · 2QP218C90D
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity (Oral) - Category 4
Safety data
- hs_code
- 2907199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Isopropenylphenol is an intermediate in the synthesis of 3,5-Dichlorobisphenol A (D433555), a monomer used for policarbonate and epoxy resins; exhibits estrogenic activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
52 records
Compound notes
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