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5989-08-2

5989-08-2 Structure

5989-08-2 Structure
IdentificationBack Directory
[Name]

(+)-ALPHA-LONGIPINENE
[CAS]

5989-08-2
[Synonyms]

(+)-α-longipinene
Longipinene (>80%)
(+)-alfa-Longipinene
(+)-ALPHA-LONGIPINENE
(+)-ALPHA-LONGIPINENE
97.0% (sum of enantiomers, GC)
2,6,6,9-Tetramethyl-tricyclo[5.4.0.0(2,8)]undec-9-ene
(+)-alpha-Longipinene >=99.0% (sum of enantiomers, GC)
Tricyclo[5.4.0.0(2,8)]undec-9-ene, 2,6,6,9-tetramethyl-
Tricyclo[5.4.0.0(2,8)]undec-9-ene, 3,3,7,9-tetramethyl-
(1R,2S,7R,8R)-2,6,6,9-TETRAMETHYL-TRICYCLO[5.4.0.0(2.8)]UNDEC-9-ENE
Tricyclo[5.4.0.02,8]undec-9-ene, 2,6,6,9-tetramethyl-, (1R,2S,7R,8R)-
α-longipineneQ: What is α-longipinene Q: What is the CAS Number of α-longipinene
[Molecular Formula]

C15H24
[MDL Number]

MFCD00077624
[MOL File]

5989-08-2.mol
[Molecular Weight]

204.35
Chemical PropertiesBack Directory
[Boiling point ]

244-246 °C(lit.)
[density ]

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

n20/D 1.493
[Fp ]

92℃
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Colourless
[Optical Rotation]

[α]20/D +25±1°, neat
[Stability:]

Light Sensitive
[InChI]

1S/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h6,11-13H,5,7-9H2,1-4H3/t11-,12+,13+,15-/m1/s1
[InChIKey]

HICYDYJTCDBHMZ-UKTARXLSSA-N
[SMILES]

[H][C@@]12CC=C(C)[C@@]3([H])[C@@]1([H])C(C)(C)CCC[C@]23C
[LogP]

6.398 (est)
Safety DataBack Directory
[Safety Statements ]

23-24/25
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

(+)-α-Longipinene can be used as a starting material for the synthesis of new terpenoids, (+)-(5S)-5,12-dihydroxy-α-longipinene, (-)-(5R)-5,12-dihydroxy-α-longipinene, and (+)-12-hydroxy-α-longipinen-5-one by oxidation reaction using Aspergillus niger as a biocatalyst. It can be oxidized using lead tetraacetate into tertiary alcohol, longi-cis-verbenol, longi-trans-verbenol, longi-cis-β-crysanthenol, longiverbenone, longi-trans- β -crysanthenol, 2 β,3 β -dihydroxylongipinane, 4 α,8-dihydroxy- α -Iongipinene, and 4 β,8-dihydroxy- α -longipinene.
[Definition]

ChEBI: A bridged compound and sesquiterpene that is tricyclo[5.4.0.02,8]undecane that is substituted by methyl groups at the 2, 6, 6, and 9 positions and has a double bond between positions 9 and 10.
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