Amylmetacresol

C₁₂H₁₈OCAS 1300-94-3178.27 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₁₂H₁₈O
Molar mass: 178.27 g/mol
Exact mass: 178.1358 Da
Melting point: 24 °C
Boiling point: 119–122 °C (at 10 Torr)
logP: 3.43Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage16.7% of notifiers
H361 Suspected of damaging fertility or the unborn child16.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects14.6% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P391, P405, P501

Identifiers

CAS number

1300-94-3

SMILES

CCCCCc1ccc(C)cc1O

InChIKey

CKGWFZQGEQJZIL-UHFFFAOYSA-N

InChI

InChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

Phenol, 5-methyl-2-pentyl-
m-Cresol, 6-pentyl-
5-Methyl-2-pentylphenol
6-n-Amyl-m-cresol

Work with Amylmetacresol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hexylresorcinol136-77-666 % similar 4-Dodecylresorcinol24305-56-466 % similar Nonylphenol25154-52-362 % similar 2-Heptylphenol5284-22-062 % similar 4-Butylresorcinol18979-61-860 % similar 4-Propylresorcinol18979-60-750 % similar 4-Methyl-4′-pentyl-1,1′-biphenyl64835-63-847 % similar 4-Methylcatechol452-86-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

α-Ethyl-α-methylbenzenepropanol10415-87-9 Benzyl isopentyl ether122-73-6 Cyclohexenylcyclohexanone1502-22-3 1-Acetyladamantane1660-04-4 2,4-Dimethyl-6-tert-butylphenol1879-09-0 Propofol2078-54-8 6-Phenyl-1-hexanol2430-16-2 2,3,4,5,6,6-Hexamethylcyclohexa-2,4-dien-1-one3854-96-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook