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(-) -a-Cedrene

CAT: 0286-C05915-01Size: 250 gDry Ice: NoHazardous: No
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CAT#:0286-C05915-01Size:250 g
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CAS Number
469-61-4
Synonyms
(1S,2R,5S) -2,6,6,8-Tetramethyltricyclo[5.3.1.01.5]undec-8-ene; (-) -Cedrene; a-Cedrene; 1H-3a,7-Methanoazulene,2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00063003
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled.
ITAR USML
N
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

(-)-Cedrene

Cedr-8-ene is a sesquiterpene that is cedrane which has a double bond between positions 8 and 9. It has a role as a volatile oil component and a human urinary metabolite. It is a sesquiterpene, a polycyclic olefin, a bridged compound and a carbotricyclic compound. It derives from a hydride of a cedrane.

CAS Number469-61-4
PubChem CID6431015
IUPAC Name(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
Molecular FormulaC15H24
Molecular Weight204.35
XLogP4.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity323
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC=C([C@H](C3)C2(C)C)C
InChI
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
Chemical Structure
2D Structure
2D structure of (-)-Cedrene
CAS: 469-61-4
CID: 6431015
Formula: C15H24
MW: 204.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.35
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass204.187800766
Monoisotopic Mass204.187800766
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity323
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T30784-01Cedrene
JH335954(+) -β-Cedrene
sc-233763(-) -α-Cedrene
HY-135190-01(-) -Cedrene
RG-E141252-01β-Cedrene
RG-E141251-01α-Cedrene
TRC-C364863-1G(-)-alpha-Cedrene (contains (+)-beta-cedrene)
TRC-C364868-100MG(+)-beta-Cedrene (major, contains (-)-cedrene)
TRC-C364863-25G(-)-a-Cedrene (major, contains (+)-b-cedrene)
TRC-C488820-10MG(+)-alpha-Cedrene

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