AG003ALA

17283-81-7 | 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone

AG003ALA

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	17283-81-7
Catalog Number	AG003ALA(AGN-PC-0416JX)
Chemical Name	4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
EC Number	241-318-1
FEMA Number	3626
IUPAC Name	4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one
InChI	InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
InChI Key	QJJDNZGPQDGNDX-UHFFFAOYSA-N
MDL Number	MFCD00456730
Molecular Formula	C13H22O
Molecular Weight	194.3132
SMILES	CC1=C(C(CCC1)(C)C)CCC(C)=O
UNII	710YK6CESE
Synonyms	Dihydro-beta-ionone, 17283-81-7, Oxidized Latia luciferin, 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone, 7,8-Dihydro-beta-ionone, 4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one, 2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, UNII-710YK6CESE, FEMA No. 3626, 4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone, 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butan-2-one, EINECS 241-318-1, 710YK6CESE, AI3-32482, CHEBI:18015, QJJDNZGPQDGNDX-UHFFFAOYSA-N, .alpha.,.beta.-Dihydro-.beta.-ionone, 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one, Dihydro-b-ionone, Latia oxyluciferin, Dihydro-|A-ionone, Dihydro Lonone Beta, 5-Megastigmen-9-one, Dihydro-.beta.-ionone, AC1LAS8K, .beta.-Ionone, dihydro-, 7,8-Dehydro-beta-ionone, C03527, .beta.-7,8-Dihydroionone, DSSTox_CID_27200, DSSTox_RID_82195, DSSTox_GSID_47200, 7,8-Dihydro-.beta.-ionone, SCHEMBL441670, alpha,beta-Dihydro-beta-ionone, Dihydro-beta-ionone, >=90%, OXIDIZED-LATIA-LUCIFERIN, CHEMBL3188345, DTXSID4047200, ZINC2565574, Tox21_302666, AKOS015903877, FS-4346, LS-2671, NCGC00256712-01, AJ-41132, AN-18697, CAS-17283-81-7, FT-0725907, 4-(2,6,6-trimethyl-1-cyclohexenyl)-butan-2-one, 4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one, 4-(2,6,6-trimethylcyclohex-1-enyl)butan-2-one, 4-(2,6,6-trimethyl-cyclohex-1-enyl)-butan-2-one, 1-(1,1,5-Trimethylcyclohex-5-en-6-yl)-butan-3-one, 4-(2,6,6-trimethyl-cyclohex-1 -enyl)-butan-2-one, I14-18428, 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone, 9CI, InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H, Di hydro ? ionone, C13H22O, C13-H22-O, CID519382, (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one, 4 - (2,6,6 - trimethyl - 1 - cyclohexen - 1 - yl)butan - 2 - one, ID3,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.167g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.318g/mol
Monoisotopic Mass	194.167g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3082

Certificate of Analysis

Lot Number