β-Pinene

C₁₀H₁₆CAS 127-91-3136.24 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₁₀H₁₆
Molar mass: 136.24 g/mol
Exact mass: 136.1252 Da
Density: 0.86 g/mL (at 25 °C)
Melting point: −61.5 °C
Boiling point: 166 °C
Flash point: 31.1 °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 vapor99.7% of notifiers
H304 May be fatal if swallowed and enters airways99.7% of notifiers
H315 Causes skin irritation81.9% of notifiers
H317 May cause an allergic skin reaction97.5% of notifiers
H400 Very toxic to aquatic life26.1% of notifiers
H410 Very toxic to aquatic life with long lasting effects30.2% of notifiers

Aggregated from 2,276 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

127-91-3

SMILES

C=C1CCC2CC1C2(C)C

InChIKey

WTARULDDTDQWMU-UHFFFAOYSA-N

InChI

InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3

Weigh it out

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

Names and synonyms

17 names · show all

Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-
2(10)-Pinene
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
Nopinene
Terebenthene
Pseudopinen
Pseudopinene
Nopinen
PC 600
(±)-2(10)-Pinene
(±)-β-Pinene
(±)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
PC 600 (pesticide)
NSC 21447
NSC 406265
NSC 59190
Beta-Pinene

Work with β-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.

(-)-Beta-Pinene18172-67-3Defined stereoisomer

Similar compounds

Beta-Eudesmol473-15-443 % similar (-)-α-Pinene7785-26-436 % similar (1R)-α-Pinene7785-70-836 % similar α-Pinene80-56-836 % similar Spathulenol6750-60-336 % similar Sabinene3387-41-534 % similar Pinane473-55-233 % similar cis-Pinane6876-13-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Myrcene123-35-3 3-Carene13466-78-9 β-Ocimene13877-91-3 1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-3 (+-)-Alpha-Pinene2437-95-8 Adamantane281-23-2 exo-Tetrahydrodicyclopentadiene2825-82-3

Elsewhere

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