Beta pinene

Beta pinene
Compound Structure:
Synonyms: BETA-PINENE;127-91-3;Pseudopinene;2(10)-Pinene;Nopinene;6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane;.beta.-Pinene;Terbenthene;Terebenthene;PINENE, BETA;Pin-2(10)-ene;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;Pseudopinen;Nopinen
Compound ID: NMPC-656
PubChem ID:

14896

Molecular Formula: C10H16
Canonical SMILES: CC1(C2CCC(=C)C1C2)C
InChIKey: WTARULDDTDQWMU-UHFFFAOYSA-N
About the compound:

Beta-pinene, a specific isomer of pinene, is distinguished by its exocyclic double bond. It is a significant component in the essential oils derived from a wide variety of plants and plays a role as a plant metabolite. Structurally, it is classified as a monoterpene, which is a category of organic compounds commonly found in plants. Beta-pinene is one of two isomers of pinene, the other being alpha-pinene. It is a colorless liquid that is soluble in alcohol but insoluble in water. Beta-pinene is noted for its distinct woody-green, pine-like aroma, contributing to the characteristic scent of many plants and essential oils. beta-pinene is one of the most abundant compounds emitted by forest trees. When exposed to air, it undergoes oxidation, leading to the formation of allylic products predominantly belonging to the pinocarveol and myrtenol families. This process of oxidation significantly alters the chemical composition and properties of beta-pinene, showcasing its reactive nature in the presence of air.

GHS Hazard Statements

H226 (99.87%): Flammable liquid and vapor [Warning Flammable liquids]

H304 (99.87%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

H315 (82.2%): Causes skin irritation [Warning Skin corrosion/irritation]

H317 (97.69%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H400 (25.48%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

H410 (29.54%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

136.23 g/mol

XLogP3-AA

3.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

136.125200510 g/mol

Monoisotopic Mass

136.125200510 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

177

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Colorless liquid with a turpentine-like odor; [HSDB]

Boiling Point

166 °C

Melting Point

-61.5 °C

Density

0.860 at 25 °C

Solubility 

INSOL IN WATER; SOL IN ALC, ETHER, BENZENE, & OTHER SOLVENTS; VERY SOL IN CHLOROFORM /D- & L-ISOMER/

Vapor Pressure

2.93 [mmHg]

Source: PubChem

Source Species: Ficus capensis
Gongronema latifolium
Gossypium barbadense
Heeria insignis
Monodora tenuifolia
Cymbopogon citratus
Eremomastax speciosa
Eucalyptus maculata
Tithonia rotundifolia
Araucaria cunninghamii
Eucalyptus cloeziana
Securidata longependuculat
Eucalyptus tereticornis
Hyparrhenia rufa
Tagetes erecta
Taxodium distichum
Acalypha segetalis
Eucalyptus torelliana
Centratherum punctatum
Murraya Koenigii
Plumeria alba
Polyalthia suaveolens
Pyrenacantha staudtii
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