alpha-Pinene

Compound Structure:

Synonyms:

ALPHA-PINENE;80-56-8;2-Pinene;Acintene A;.alpha.-Pinene;Pinene isomer;2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene;pin-2(3)-ene;alfa-Pinene;Sylvapine A;PINENE, ALPHA;(+/-)-alpha-Pinene;(+/-)-2-Pinene;NSC 7727;pin-2-ene

Compound ID:

NMPC-581

PubChem ID:

6654

Molecular Formula:

C10H16

Canonical SMILES:

CC1=CCC2CC1C2(C)C

InChIKey:

GRWFGVWFFZKLTI-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	136.23 g/mol
XLogP3-AA	2.8
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	0Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	186
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	Alpha-pinene appears as a clear colorless liquid with a turpentine odor. Flash point 91 °F. Less dense than water and insoluble in water. Vapors are heavier than air. Used as a solvent.
Boiling Point	313.2 °F at 760 mmHg (NTP, 1992)
Melting Point	-67 °F (NTP, 1992)
Density	0.858 (USCG, 1999)
Solubility	Sol in alcohol, chloroform, ether, glacial acetic acid, fixed oils
Vapor Pressure	10 mmHg at 99.1 °F (NTP, 1992)

Source: PubChem

Properties:

Source Species:

Chenopodium ambrosioides
Eucalyptus globulus
Eugenia aromatica
Ficus capensis
Ficus exasperata
Gongronema latifolium
Heeria insignis
Klainedoxa gabonensis
Monodora myristica
Solanum nigrum
Solenostemon monostachyus
Cymbopogon citratus
Eremomastax speciosa
Zingiber officinale
Eucalyptus maculata
Hirsute Palisota
Tithonia rotundifolia
Araucaria cunninghamii
Brachystegia nigerica
Eucalyptus cloeziana
Securidata longependuculat
Boswellia dalzielii
Brachystegia eurycoma
Eucalyptus tereticornis
Hyparrhenia rufa
Tagetes erecta
Taxodium distichum
Acalypha segetalis
Eugenia uniflora
Eucalyptus torelliana
Callitris columellaris
Centratherum punctatum
Morinda lucida
Murraya Koenigii
Plumeria alba
Polyalthia suaveolens
Pyrenacantha staudtii

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