Pinane

C₁₀H₁₈CAS 473-55-2138.25 g/mol

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Properties

Molecular formula: C₁₀H₁₈
Molar mass: 138.25 g/mol
Exact mass: 138.1409 Da
Density: 0.8 g/mL
Melting point: below 25 °C
Boiling point: 169 °C
Flash point: 40 °C
Water solubility: < 1 g/L (20 °C)
logP: 3.08Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways57.4% of notifiers
H411 Toxic to aquatic life with long lasting effects33.8% of notifiers

Aggregated from 432 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

473-55-2

SMILES

CC1CCC2CC1C2(C)C

InChIKey

XOKSLPVRUOBDEW-UHFFFAOYSA-N

InChI

InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3

Weigh it out

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Names and synonyms

4 names

Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-
2,6,6-Trimethylbicyclo[3.1.1]heptane
Dihydropinene
NSC 76674

Work with Pinane

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.

cis-Pinane6876-13-7Defined stereoisomer

Similar compounds

Chlorobis((1S,2R,3S,5S)-2,6,6-trimethylbicyclo(3.1.1)hept-3-yl)borane112246-73-837 % similar (-)-Diisopinocampheyl chloroborane85116-37-637 % similar Patchoulol5986-55-036 % similar Hydrogenated bisphenol A80-04-634 % similar β-Pinene127-91-333 % similar (-)-Beta-Pinene18172-67-333 % similar 1,2,4-Trimethylcyclohexane2234-75-532 % similar

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

Same formula

1,9-Decadiene1647-16-1 2,7-Dimethyl-2,6-octadiene16736-42-8 5-Decyne1942-46-7 2-Decyne2384-70-5 3-Decyne2384-85-2 4-Decyne2384-86-3 3,7-Dimethyl-1,6-octadiene2436-90-0 cis-Decalin493-01-6

Elsewhere

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