AG00BV9T

2244-16-8 | 2-Methyl-4-(1 -methylethenyl)-2-cyclohexene-1 -one

AG00BV9T

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CAS Number	2244-16-8
Catalog Number	AG00BV9T(AGN-PC-0O80JH)
Chemical Name	2-Methyl-4-(1 -methylethenyl)-2-cyclohexene-1 -one
EC Number	218-827-2
IUPAC Name	(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
InChI	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1
InChI Key	ULDHMXUKGWMISQ-VIFPVBQESA-N
MDL Number	MFCD00062997
Molecular Formula	C10H14O
Molecular Weight	150.2176
SMILES	C(=C)(C)[C@@H]1CC(=O)C(=CC1)C
UN Number	2810
UNII	4RWC1CMS3X
Synonyms	2244-16-8, d-Carvone, (+)-Carvone, (S)-(+)-Carvone, (S)-Carvone, (S)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone, (+)-(S)-Carvone, D(+)-Carvone, Carvone, (+)-, Carvol, (S)-(+)-p-Mentha-6,8-dien-2-one, D-(+)-Carvone, d-Carvone (natural), (+)-(4S)-carvone, UNII-4RWC1CMS3X, d-1-Methyl-4-isopropenyl-6-cyclohexen-2-one, (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one, CCRIS 2385, 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5S)-, S-(+)-carvone, CHEBI:15399, (S)-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-one, p-Mentha-6,8-dien-2-one, (S)-(+)-, (S)-2-methyl-5-(1-methylethenyl)-2-Cyclohexen-1-one, EINECS 218-827-2, 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (S)-, d-p-Mentha-6,8,(9)-dien-2-one, MFCD00062997, 4RWC1CMS3X, (S)-d-p-Mentha-6,8,(9)-dien-2-one, AI3-39004, (S)-5-Isopropenyl-2-methyl-2-cyclohexenone, ULDHMXUKGWMISQ-VIFPVBQESA-N, d-p-Mentha-6,8(9)-dien-2-one, (5S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one, DSSTox_CID_256, (4R)-(-)-Carvone, (S)-5-isopropenyl-2-methylcyclohex-2-en-1-one, DSSTox_RID_75467, DSSTox_GSID_20256, Q-200930, (5S)-2-methyl-5-(1-methylethenyl)cyclohex-2-en-1-one, (5S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one, D(+)-Carvone, 96%, natural, D(+)-Carvone, 98%, synthetic, (R)-Carvone, 2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one, L(-)-Carvone, (-)-(R)-Carvone, CAS-2244-16-8, dextro-carvone, s-carvone, (+)carvone, AK116586, (4S)-carvone, 5-isopropenyl-2-methylcyclohex-2-en-1-one, S(+)-Carvone, carvone, (S)-isomer, (S)-()-Carvone, AC1Q6CEM, dill weed oil terpeneless, 2-Methyl-5-(1-methylethenyl)-2-cyclohexene-1-one, Epitope ID:141510, AC1L28JX, MLS002415723, SCHEMBL184022, D-Carvone, >=96%, FG, AC1Q1J38, AC1Q1J39, CHEMBL501949, Jsp004564, DTXSID8020256, (S)-(+)-Carvone, 96%, d-CARVONE (SYNTHETIC) FCC, (+)-Carvone, analytical standard, HMS3039E10, LS-73, ZINC968102, KS-00000LN1, ZX-AT010518, Tox21_201441, Tox21_302743, SBB012349, ACM2244168, AM84798, CS-W014295, DS-4662, FCH1120205, RP21406, (4S)-p-mentha-1(6),8-dien-2-one, NCGC00091882-01, NCGC00091882-02, NCGC00091882-03, NCGC00091882-04, NCGC00256315-01, NCGC00258992-01, (S)-(+)-p-mentha-6,8-dien- 2-one, AJ-24574, AN-20779, SMR001370898, ST069328, ZB015517, ST2414611, FT-0658046, V0240, C11383, (S)-(+)-5-Isopropenyl-2-methyl-2-cyclohexenone, A816212, (5S)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one, 5-Isopropenyl-2-methyl-2-cyclohexen-1-one, (S)-, 2-Methyl-4-(1 -methylethenyl)-2-cyclohexene-1 -one, (5S)-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enone, (5S)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one, (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one, 2-Methyl-5-(1-methylethenyl)-(R)-2-Cyclohexen-1-one, (+)-Carvone, certified reference material, TraceCERT(R), UNII-75GK9XIA8I component ULDHMXUKGWMISQ-VIFPVBQESA-N, 2-Cyclohexen-1-one,2-methyl-5-(1-methylethenyl)-, (5S)-, 0WU, CARVONE, Karvon, Talent, d-biotin, Levo-carvone, (-)-Carvone, p-Mentha-6,8-dien-2-one, C10H14O, (-)-p-Mentha-6,8-dien-2-one, CID16724, c0704, C10-H14-O, NA2810, UN2810, 2-Methyl-4- -2-cyclohexene-1-one, (R)-(-)-p-Mentha-6,8-dien-2-one, 6-allyl-4,5-dimethoxy-1,3-benzodioxol, p-Mentha-6,8-dien-2-one, (S)-()-, (S)-( )-Carvone, 96% - 100ML 100ml, (S) - 2 - methyl - 5 - (1 - methylvinyl)cyclohex - 2 - en - 1 - one,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	150.104g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	150.221g/mol
Monoisotopic Mass	150.104g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number