p-Allylphenol - CAS 501-92-8
Catalog:
BB054048
Product Name:
p-Allylphenol
CAS:
501-92-8
Synonyms:
4-(2-propenyl)-pheno; 4-(Prop-2-enyl)-phenol; Chavicol; gamma-(p-Hydroxyphenyl)-alpha-propylene; p-Allylphenol; p-Chavicol; Phenol, 4-(2-propenyl)-; Phenol, p-allyl-
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BB054048
1 g
$197
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IUPAC Name: 4-prop-2-enylphenol
Description: A useful research chemical.
Molecular Weight: 134.18
Molecular Formula: C9H10O
Canonical SMILES: C=CCC1=CC=C(C=C1)O
InChI: InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2
InChI Key: RGIBXDHONMXTLI-UHFFFAOYSA-N
Boiling Point: 234.00 to 236.00 °C at 760.00 mm Hg
Melting Point: 16 °C
Flash Point: 102.6ºC
Purity: 95%
Density: 1.014 g/cm3
Solubility: 1110 mg/L at 25 °C (est)
Appearance: Liquid
LogP: 2.12070
Refractive Index: 1.548
Complexity: 101
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 134.073164938
Formal Charge: 0
Heavy Atom Count: 10
Hydrogen Bond Acceptor Count: 1
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 134.073164938
Rotatable Bond Count: 2
Topological Polar Surface Area: 20.2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.9
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