ChemicalBook--->CAS DataBase List--->1137-12-8

1137-12-8

1137-12-8 Structure

1137-12-8 Structure
IdentificationBack Directory
[Name]

(+)-LONGICYCLENE
[CAS]

1137-12-8
[Synonyms]

LONGICYCLEN
Einecs 214-504-5
(+)-LONGICYCLENE
LONGICYCLENE, (+)-
(+)-LONGICYCLENE 95+%
(+)-LONGICYCLENE ISO 9001:2015 REACH
(+)-Longicyclene >=95.0% (sum of enantiomers, GC)
C15 H24, 1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-,
(3aβ,9S)-Decahydro-1,5,5,8aβ-tetramethyl-1α,2α,4α-methenoazulene
(1S,2S)-1,2,6,6-TETRAMETHYLTETRACYCLO[8.1.0.0(2.8).0(7.11)]UNDECANE
1,2,4-Methenoazulene, decahydro-1,5,5,8A-tetramethyl-, (1S,2R,3ar,4R,8ar,9S)-
[1S-(1alpha,2alpha,3abeta,4alpha,8abeta,9R*)]-decahydro-1,5,5,8a-tetramethyl-1,2,4-methenoazulene
1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1alpha,2alpha,3abeta,4alpha,8abeta,9R)]-
1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1alpha,2alpha,3abeta,4alpha,8abeta,9R*)]-
[EINECS(EC#)]

214-504-5
[Molecular Formula]

C15H24
[MDL Number]

MFCD00042690
[MOL File]

1137-12-8.mol
[Molecular Weight]

204.35
Chemical PropertiesBack Directory
[Boiling point ]

252-254 °C (lit.)
[density ]

0.937 g/mL at 20 °C (lit.)
[refractive index ]

n20/D 1.493
[Fp ]

92 °C
[form ]

liquid
[Optical Rotation]

[α]20/D +32.5±1°, neat
[BRN ]

2039581
[InChI]

1S/C15H24/c1-13(2)6-5-7-14(3)9-8-10-12(11(9)13)15(10,14)4/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12-,14+,15+/m1/s1
[InChIKey]

WCEIQUQVIOGRBF-YTDSDZJUSA-N
[SMILES]

CC1(C)CCC[C@@]2(C)[C@@H]3C[C@@H]4[C@H]([C@H]13)[C@@]24C
[LogP]

5.908 (est)
[EPA Substance Registry System]

Longicyclene (1137-12-8)
Safety DataBack Directory
[RIDADR ]

UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Hazard InformationBack Directory
[Uses]

Longicyclene is the first tetracarbocyclic sesquiterpene isolated from the essential oil of Pinus longifolia, Roxb.
[General Description]

Longicyclene is the first tetracarbocyclic sesquiterpene isolated from the essential oil of Pinus longifolia, Roxb.
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