3-Methyl-4-isopropylphenol

C₁₀H₁₄OCAS 3228-02-2150.22 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₁₀H₁₄O
Molar mass: 150.22 g/mol
Exact mass: 150.1045 Da
Melting point: 114 °C
Boiling point: 238 °C
logP: 2.82Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation30.2% of notifiers
H318 Causes serious eye damage46.3% of notifiers
H319 Causes serious eye irritation30.2% of notifiers
H335 May cause respiratory irritation29.6% of notifiers

Aggregated from 162 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3228-02-2

SMILES

Cc1cc(O)ccc1C(C)C

InChIKey

IJALWSVNUBBQRA-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3

Weigh it out

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

Names and synonyms

17 names · show all

Phenol, 3-methyl-4-(1-methylethyl)-
o-Cymen-5-ol
m-Cresol, 4-isopropyl-
3-Methyl-4-(1-methylethyl)phenol
p-Thymol
Biosol
4-Isopropyl-m-cresol
4-Isopropyl-3-methylphenol
4-Isopropyl-5-methylphenol
1-Hydroxy-3-methyl-4-isopropylbenzene
Frecide
Biosol (antibacterial)
NSC 62111
5-Methyl-4-isopropylphenol
3-Methyl-4-(propan-2-yl)phenol
Isopropylmethylphenol
IPMP

Work with 3-Methyl-4-isopropylphenol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Methyl-4-isopropylphenol39660-61-2

Similar compounds

4-Isopropylresorcinol23504-03-262 % similar 3,4-Xylenol95-65-856 % similar Methylhydroquinone95-71-652 % similar 4-Bromo-3-methylphenol14472-14-148 % similar 4-Amino-3-methylphenol2835-99-648 % similar 4-Fluoro-3-methylphenol452-70-048 % similar P-Chlorocresol59-50-748 % similar O-Cymene527-84-448 % similar

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

Same formula

2-Methyl-1-phenyl-2-propanol100-86-7 4-Propylanisole104-45-0 Butyl phenyl ether1126-79-0 Safranal116-26-7 (S)-Verbenone1196-01-6 (R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-3 4-Butylphenol1638-22-8 Perillaldehyde18031-40-8

Elsewhere

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