(+-)-Alpha-Pinene

C₁₀H₁₆CAS 2437-95-8136.24 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₁₀H₁₆
Molar mass: 136.24 g/mol
Exact mass: 136.1252 Da
Density: 0.8592 g/mL (at 20 °C)
Melting point: −62.5 °C
Boiling point: 156 °C (at 2760 Torr)
Flash point: 32.8 °C (closed cup)
Water solubility: 2.49 mg/L (25 °C)
logP: 3.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor97.6% of notifiers
H302 Harmful if swallowed13.7% of notifiers
H304 May be fatal if swallowed and enters airways74.1% of notifiers
H315 Causes skin irritation83.2% of notifiers
H317 May cause an allergic skin reaction66.1% of notifiers
H318 Causes serious eye damage23.3% of notifiers
H400 Very toxic to aquatic life52.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects55.7% of notifiers

Aggregated from 2,036 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P330, P331, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

2437-95-8

SMILES

CC1=CCC2CC1C2(C)C

InChIKey

GRWFGVWFFZKLTI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

13 names · show all

(±)-α-Pinene
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-
2-Pinene
2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
α-Pinene
PC 500
(±)-2-Pinene
PC 500 (terpene)
Acintene A
NSC 7727
Sylvapine A
Alpha-Pinene
Leavo 95

Work with (+-)-Alpha-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 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-Pinene7785-70-8Defined stereoisomer (-)-α-Pinene7785-26-4Defined stereoisomer α-Pinene80-56-8

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 exo-Tetrahydrodicyclopentadiene2825-82-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook