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489-39-4

489-39-4 Structure

489-39-4 Structure
IdentificationBack Directory
[Name]

(+)-AROMADENDRENE
[CAS]

489-39-4
[Synonyms]

AROMADENDRENB
aromandendrene
(+)-AROMADENDRENE
(+)-AROMADENDRENE
AROMADENDRENE, (+)
10(14)-Aromadendrene
(+)-Aromadendrene (96%)
AROMADENDRENE, (+)-(SG)
(+)-AROMADENDRENE WITH GC
(+)-AroMadendrene >=97.0% (suM of enantioMers, GC)
(1R,3aα,8aβ)-1α-Methyl-4-methylene-7β,8β-isopropylidenedecahydroazulene
(1R,2S,8R,11R)-7-METHYLENE-3,3,11-TRIMETHYL-TRICYCLO[6.3.0.0(2.4)]UNDECANE
(1aβ,4aβ,7aα,7bβ)-Decahydro-4-methylene-1,1,7β-trimethyl-1H-cyclopropa[e]azulene
1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aR,7R,7aR,7bS)-(+)-
(1aR,4aR,7R,7aR,7bS)-1,1,7-trimethyl-4-methylene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azule
[1aR-(1aalpha,4aalpha,7alpha,7abeta,7balpha)]-decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulene
aromadendrene,aromadendrene,[1ar-(1aalpha,4aalpha,7alpha,7abeta,7balpha)]-decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulene
[EINECS(EC#)]

207-694-6
[Molecular Formula]

C15H24
[MDL Number]

MFCD00062951
[MOL File]

489-39-4.mol
[Molecular Weight]

204.35
Chemical PropertiesBack Directory
[Melting point ]

262°C
[Boiling point ]

261-263 °C (lit.)
[density ]

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

n20/D 1.497
[Fp ]

90℃
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Colourless to Pale Yellow
[Optical Rotation]

[α]20/D +12±1°, neat
[BRN ]

2554306
[InChI]

1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14-/m1/s1
[InChIKey]

ITYNGVSTWVVPIC-XVIXHAIJSA-N
[SMILES]

[H][C@@]12CC[C@@H](C)[C@@]1([H])[C@@]3([H])[C@@]([H])(CCC2=C)C3(C)C
[LogP]

6.427 (est)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Danger
[Hazard statements ]

H304
[WGK Germany ]

3
[F ]

10-23
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

(+)-Aromadendrene may be used as a chiral starting material to synthesize other sesquiterenes such as (-)-apoaromadendrone, (-)-kessane, (+)-spathulenol, (+)-ledene and (-)-isoledene.
[General Description]

(+)-Aromadendrene, a sesquiterpenoid, is the major constituent of the essential oil of Eucalypfus globulus.
Spectrum DetailBack Directory
[Spectrum Detail]

(+)-AROMADENDRENE(489-39-4)1HNMR
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