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469-61-4

469-61-4 Structure

469-61-4 Structure
IdentificationMore
[Name]

(-)-ALPHA-CEDRENE
[CAS]

469-61-4
[Synonyms]

(1S,2R,5S)-2,6,6,8-TETRAMETHYLTRICYCLO[5.3.1.0(1.5)]UNDEC-8-ENE
(-)-ALPHA-CEDRENE
ALPHA-CEDRENE
CEDRENE
CEDRENE, (-)-ALPHA-
1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3alpha,3abeta,7beta,8aalpha)]-
3a-beta,7-beta,8a-alpha))-h
3abeta,7beta,8aalpha)]-3alph
7-methanoazulene,2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-,(3r-(3-alpha,3a-beta,7-beta,8a-alpha))1h-3
7-Methanoazulene,2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-,[3R-(3.alpha.,3a.beta.,7.beta.1H-3a
7-methanoazulene,2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1h-3(3r-(3-alp
7-methanoazulene,2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1h-3[3theta-(
Cedr-8-ene
levo-alpha-cedrene
[3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
(-)-alpha-CedrenewithG.C.
1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)-
(3R-(3alpha,3abeta,7beta,8aalpha))-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen
CEDREN
A-CEDRENE WITH GC
[EINECS(EC#)]

207-418-4
[Molecular Formula]

C15H24
[MDL Number]

MFCD00063003
[Molecular Weight]

204.35
[MOL File]

469-61-4.mol
Chemical PropertiesBack Directory
[alpha ]

-88 º(c=10%, EtOH)
[Boiling point ]

261-262 °C(lit.)
[density ]

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

n20/D 1.498
[Fp ]

104°C
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Soluble), DMSO (Slightly, Heated), Ethanol (Very Slightly), Methanol
[form ]

Oil
[color ]

Colourless to Light Yellow
[Odor]

at 100.00 %. woody cedar sweet fresh
[Odor Type]

woody
[Optical Rotation]

[α]20/D 88±1°, c = 10% in ethanol
[BRN ]

3196861
[Dielectric constant]

3.2(24℃)
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1
[InChIKey]

IRAQOCYXUMOFCW-OSFYFWSMSA-N
[SMILES]

C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC=C3C
[LogP]

6.308 (est)
[CAS DataBase Reference]

469-61-4(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-3a,7-methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3r-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-(469-61-4)
[EPA Substance Registry System]

469-61-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H400
[Precautionary statements ]

P273-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,N
[Risk Statements ]

R36/38:Irritating to eyes and skin .
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S24/25:Avoid contact with skin and eyes .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[RIDADR ]

UN 3082 9/PG 3
[WGK Germany ]

2
[RTECS ]

PB7725000
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
Hazard InformationBack Directory
[Uses]

(-)-a-Cedrene has been observed in the essential oil extract of Scutellaria barbata, which has displayed antimicrobial activity.
[Definition]

ChEBI: A sesquiterpene that is cedrane which has a double bond between positions 8 and 9.
Spectrum DetailBack Directory
[Spectrum Detail]

(-)-ALPHA-CEDRENE(469-61-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

469-61-4(sigmaaldrich)
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