Terpinolene


PubChem CID 11463
Molecular Formula C10H16
Structure Compound Image
Synonyms
TERPINOLENE
586-62-9
Isoterpinene
Terpinolen
alpha-Terpinolene
4-Isopropylidene-1-methylcyclohexene
p-Mentha-1,4(8)-diene
1,4(8)-p-Menthadiene
Nofmer TP
Tereben
p-Menth-1,4(8)-diene
1,4(8)-Terpadiene
Cyclohexene, 1-methyl-4-(1-methylethylidene)-
1-Methyl-4-(1-methylethylidene)cyclohexene
1-Methyl-4-isopropylidene-1-cyclohexene
FEMA No. 3046
FEMA Number 3046
1-Methyl-4-(1-methylethylidene)-1-cyclohexene
HSDB 5702
EINECS 209-578-0
UNII-N9830X5KSL
p-Meth-1-en-8-yl-formate
4-isopropylidene-1-methyl-cyclohexene
1-methyl-4-(propan-2-ylidene)cyclohex-1-ene
.gamma.-Terpinolene
1-methyl-4-propan-2-ylidenecyclohexene
CHEBI:9457
N9830X5KSL
DTXSID0027222
1-methyl-4-(propan-2-ylidene)cyclohexene
AI3-24378
DTXCID507222
EC 209-578-0
MFCD00049191
Terpinolene (>85%)
1-methyl-4-(1-methylethylidene)-cyclohexene
Cyclohexene, 3-methyl-6-(1-methylethylidene)- (9CI)
1-methyl-4-(propan-2-ylidene)cyclohexene p-mentha-1,4(8)-diene
UN2541
delta-Terpinene
alpha -Terpinolene
.alpha.-Terpinolene
.alpha.- Terpinolen
Terpinolene, >=90%
TERPINOLENE with GC
TERPINOLENE [FHFI]
TERPINOLENE [HSDB]
bmse000504
CHEMBL454697
Terpinolene, analytical standard
FEMA 3046
Tox21_303268
AKOS028108377
FS-6812
LMPR0102090062
Terpinolene, technical, >=85% (GC)
UN 2541
d-1-methyl-4-isopropenyl-1-cyclohexene
Terpinolene, purum, >=95.0% (GC)
NCGC00256963-01
CAS-586-62-9
1ST014184-100M
4-ISOPROPYLIDENE-1-METHYLCYCLOHEXANE
DB-053242
Terpinolene 1000 microg/mL in Isopropanol
NS00005520
T0817
Terpinolene [UN2541] [Flammable liquid]
Terpinolene Solution in Methanol, 100ug/mL
C06075
EN300-125038
Alpha-Terpinolene 1000 microg/mL in Isopropanol
1-Methyl-4-(1-methylethylidene)-1-cyclohexene #
1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI
Q-201793
Q2405051
Z1255360533
CYCLOHEXENE, 1-METHYL-4-(1-METHYLETHYLIDENE)-, (R)-
9LR

Computed Descriptors


IUPAC Name 1-methyl-4-propan-2-ylidenecyclohexene
SMILES CC1=CCC(=C(C)C)CC1
Canonical SMILES CC1=CCC(=C(C)C)CC1
InChI InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
InChIKey MOYAFQVGZZPNRA-UHFFFAOYSA-N

Computed Properties

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Molecular Weight 136.23 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 136.125
Monoisotopic Mass 136.125
Topological Polar Surface Area 0
Heavy Atom Count 10
Formal Charge 0
Complexity 178
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

2 pairs of Verified P450 and Terpinolene


Insect Gene Symbol Validation Reference
Dendroctonus ponderosae CYP6DJ1 X
Dendroctonus ponderosae CYP345E2 E