alpha-Terpinene

Compound Structure:

Synonyms:

ALPHA-TERPINENE;99-86-5;Terpilene;p-Mentha-1,3-diene;1-Isopropyl-4-methyl-1,3-cyclohexadiene;1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-;alpha-Terpinen;1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene;1-isopropyl-4-methylcyclohexa-1,3-diene

Compound ID:

NMPC-604

PubChem ID:

7462

Molecular Formula:

C10H16

Canonical SMILES:

CC1=CC=C(CC1)C(C)C

InChIKey:

YHQGMYUVUMAZJR-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H226: Flammable liquid and vapor [Warning Flammable liquids]

• H302: Harmful if swallowed [Warning Acute toxicity, oral]

• H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]

• H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

• H411: Toxic to aquatic life with long lasting effects [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	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
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	171
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Colourless oily liquid; refreshing, lemony-citrus aroma
Boiling Point	173.00 to 175.00 °C. @ 760.00 mm Hg
Melting Point	< 25 °C
Solubility	Insoluble in water; soluble in most fixed oils

Source: PubChem

Source Species:

Chenopodium ambrosioides
Chrysophyllum albidum
Monodora tenuifolia
Tithonia diversifolia
Cymbopogon citratus
Brachystegia eurycoma
Morinda lucida

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