2-Allylphenol

C₉H₁₀OCAS 1745-81-9134.18 g/mol

Open in Covalent MOL file

Alkene Phenol

Properties

Molecular formula: C₉H₁₀O
Molar mass: 134.18 g/mol
Exact mass: 134.0732 Da
Density: 1.0161 g/mL (at 20 °C)
Melting point: −6 °C
Boiling point: 220 °C
logP: 2.12Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H301+H311 Toxic if swallowed or in contact with skin63.6% of notifiers
H301 Toxic if swallowed91.3% of notifiers
H311 Toxic in contact with skin91.3% of notifiers
H314 Causes severe skin burns and eye damage99.5% of notifiers
H318 Causes serious eye damage69.2% of notifiers
H411 Toxic to aquatic life with long lasting effects14.9% of notifiers

Aggregated from 195 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P264+P265, P270, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P391, P405, P501

Identifiers

CAS number

1745-81-9

SMILES

C=CCc1ccccc1O

InChIKey

QIRNGVVZBINFMX-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names

Phenol, 2-(2-propen-1-yl)-
Phenol, o-allyl-
Phenol, 2-(2-propenyl)-
2-(2-Propen-1-yl)phenol
o-Allylphenol
2-(2-Propenyl)phenol
NSC 1538
o-(2-Propenyl)phenol
Yinguo
6-(Prop-2-en-1-yl)phenol

Work with 2-Allylphenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Allyl-4-chlorophenol13997-73-455 % similar 1-(2-Propen-1-yl)naphthalene2489-86-352 % similar O,O′-Diallylbisphenol A1745-89-750 % similar Salicyl alcohol90-01-750 % similar Honokiol35354-74-649 % similar 2-Ethylphenol90-00-648 % similar 2-(Aminomethyl)phenol932-30-948 % similar 3-Allylsalicylaldehyde24019-66-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylacetone103-79-7 Hydrocinnamaldehyde104-53-0 Cinnamyl alcohol104-54-1 (4-Vinylphenyl)methanol1074-61-9 2,6-Dimethylbenzaldehyde1123-56-4 P-Methylacetophenone122-00-9 5-Indanol1470-94-6 2,4-Dimethylbenzaldehyde15764-16-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook