2-Isopropylnaphthalene

C₁₃H₁₄CAS 2027-17-0170.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₄
Molar mass: 170.25 g/mol
Exact mass: 170.1096 Da
Density: 0.9753 g/mL (at 20 °C)
Melting point: 14.5 °C
Boiling point: 268.2 °C
Flash point: 122 °C (open cup)
Water solubility: insoluble
logP: 3.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H317 May cause an allergic skin reaction90.7% of notifiers
H319 Causes serious eye irritation90.7% of notifiers
H400 Very toxic to aquatic life90.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

2027-17-0

SMILES

CC(C)c1ccc2ccccc2c1

InChIKey

TVYVQNHYIHAJTD-UHFFFAOYSA-N

InChI

InChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3

Weigh it out

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

Names and synonyms

8 names

Naphthalene, 2-(1-methylethyl)-
Naphthalene, 2-isopropyl-
2-(1-Methylethyl)naphthalene
β-Isopropylnaphthalene
NSC 166466
6-Isopropylnaphthalene
2-(Propan-2-yl)naphthalene
2-Propan-2-ylnaphthalene

Work with 2-Isopropylnaphthalene

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

2,6-Diisopropylnaphthalene24157-81-181 % similar (S)-(-)-Alpha-methyl-2-naphthalenemethanol27544-18-961 % similar (-)-1-(2-Naphthyl)ethylamine3082-62-061 % similar Alpha-Methylnaphthalene-2-methanol40295-80-561 % similar Alpha-Methylnaphthalene-2-methanol7228-47-961 % similar 6-Isopropylisoquinoline790304-84-657 % similar 6-Isopropylquinoline135-79-555 % similar 1,3-Diisopropylbenzene99-62-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,5-Trimethylnaphthalene2245-38-7 4,6,8-Trimethylazulene941-81-1

Elsewhere

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