AG003NS0

6753-98-6 | alpha-Caryophyllene

AG003NS0

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CAS Number	6753-98-6
Catalog Number	AG003NS0(AGN-PC-0OG6PK)
Chemical Name	alpha-Caryophyllene
EC Number	229-816-7
IUPAC Name	(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
InChI	InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
InChI Key	FAMPSKZZVDUYOS-HRGUGZIWSA-N
MDL Number	MFCD00042689
Molecular Formula	C15H24
Molecular Weight	204.3511
SMILES	C/C1=CCC(C)(C)/C=C/C/C(C)=C/CC1
UNII	54W56MD2WD
Synonyms	alpha-caryophyllene, alpha-humulene, humulene, alpha-Humulene, Humulene, ALPHA-CARYOPHYLLENE, 3,7,10-Humulatriene, 6753-98-6, UNII-54W56MD2WD, .alpha.-Caryophyllene, EINECS 229-816-7, 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-, BRN 3240075, 54W56MD2WD, CHEBI:5768, FAMPSKZZVDUYOS-HRGUGZIWSA-N, MFCD00042689, 2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene (E,E,E)-, trans,trans,trans-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene, 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-, (1E,4E,8E)-alpha-humulene, (1E,4E,8E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene, (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene, alpha-Humalene, Caryophyllene:, .alpha.-Humulene, (1E,4E,8E)-humula-1(11),4,8-triene, AC1NQYKM, 2,6,6,9-tetramethyl-cycloundeca-1,4,8-triene, (E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene, (1E,4E,8E)--humulene, 4-05-00-01171 (Beilstein Handbook Reference), CHEMBL251280, DTXSID30858793, alpha-Humulene, analytical standard, 6292AF, alpha-Humulene, >=96.0% (GC), ZINC30726967, AKOS015965488, LMPR0103110001, AS-35296, LS-58866, C09684, UNII-K4H93P747O component FAMPSKZZVDUYOS-HRGUGZIWSA-N, Cycloundeca-1,4,8-triene,2,6,6,9-tetramethyl-, (E,E,E)-, 2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene-, (1E,4E,8E)-, c0957, C15H24, C15-H24, CID5281520, 2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene, C042686,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Exact Mass	204.188g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.357g/mol
Monoisotopic Mass	204.188g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number