(-)-α-Pinene

C₁₀H₁₆CAS 7785-26-4136.24 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₁₀H₁₆
Molar mass: 136.24 g/mol
Exact mass: 136.1252 Da
Density: 0.8496 g/mL (at 30 °C)
Melting point: −61 °C
Boiling point: 157 °C
logP: 3.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0
Stereocentres: S, Sin SMILES atom order

Hazards

Danger

H226 Flammable liquid and vapor94.9% of notifiers
H302 Harmful if swallowed43.9% of notifiers
H304 May be fatal if swallowed and enters airways81.4% of notifiers
H315 Causes skin irritation56.1% of notifiers
H317 May cause an allergic skin reaction87.7% of notifiers
H400 Very toxic to aquatic life87.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects87.6% of notifiers

Aggregated from 725 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P321, P330, P331, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

7785-26-4

SMILES

CC1=CC[C@H]2C[C@@H]1C2(C)C

InChIKey

GRWFGVWFFZKLTI-IUCAKERBSA-N

InChI

InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all

Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S,5S)-
2-Pinene, (1S,5S)-(-)-
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-
(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
l-α-Pinene
(1S,5S)-(-)-α-Pinene
(-)-2-Pinene
(S)-(-)-α-Pinene
(1S)-(-)-α-Pinene
(-)-(1S)-α-Pinene
1S-α-Pinene
(S)-(-)-Pinene
(-)-Alpha-Pinene

Work with (-)-α-Pinene

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.

(1R)-α-Pinene7785-70-8Enantiomer α-Pinene80-56-8Stereo not defined (+-)-Alpha-Pinene2437-95-8Stereo not defined

Similar compounds

(-)-Myrtenol19894-97-455 % similar (S)-Verbenone1196-01-645 % similar Verbenone80-57-945 % similar (-)-Cedrene469-61-438 % similar (+)-3-Carene498-15-736 % similar α-Campholenal4501-58-033 % similar Grapefruit mercaptan71159-90-533 % similar (-)-α-Terpineol10482-56-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Myrcene123-35-3 β-Pinene127-91-3 3-Carene13466-78-9 β-Ocimene13877-91-3 1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-3 (-)-Beta-Pinene18172-67-3 Adamantane281-23-2

Elsewhere

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