AG001CRA

14073-97-3 | Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)-

AG001CRA

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CAS Number	14073-97-3
Catalog Number	AG001CRA(AGN-PC-0O22F5)
Chemical Name	Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)-
FEMA Number	2667
IUPAC Name	(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
InChI	InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChI Key	NFLGAXVYCFJBMK-BDAKNGLRSA-N
MDL Number	MFCD00001634
Molecular Formula	C10H18O
Molecular Weight	154.2493
SMILES	O=C1[C@H](C(C)C)CC[C@@H](C)C1
UNII	5F709W4OG4
Synonyms	menthone, (-)-Menthone, l-MENTHONE, MENTHONE, 14073-97-3, trans-Menthone, p-Menthone, (2S,5R)-2-isopropyl-5-methylcyclohexanone, Neomenthone, Menthone racemic, p-Menthan-3-one, trans-p-Menthan-3-one, L-Menthan-3-one, (1R,4S)-(-)-p-Menthan-3-one, Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)-, UNII-5F709W4OG4, (-)-(2S,5R)-Menthone, (1R,4S)-p-menthan-3-one, (2S,5R)-5-methyl-2-(propan-2-yl)cyclohexanone, 89-80-5, DL-Menthone, p-Menthan-3-one, dl-, MFCD00001634, trans-Menthan-3-one, (2S,5R)-5-methyl-2-(1-methylethyl)cyclohexanone, Isomenthone, (-)-(1R,4S)-menthone, CHEBI:15410, (-)-5-Methyl-2-(1-methylethyl)cyclohexanone, p-Menthan-3-one, trans-, NFLGAXVYCFJBMK-BDAKNGLRSA-N, 5F709W4OG4, Menthone (natural), (2S-trans)-5-methyl-2-(1-methylethyl)cyclohexanone, l-Menthone, 85%, (2S,5R)-5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANONE, Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-trans)-, p-Menthan-3-one racemic, (2S,5R)-2-isopropyl-5-methyl-cyclohexanone, DSSTox_CID_24384, DSSTox_RID_80188, DSSTox_GSID_44384, 5-Methyl-2-(1-methylethyl)cyclohexanone, FEMA No. 2667, CCRIS 5747, HSDB 1268, (dl)-Menthone, EINECS 201-941-1, EINECS 214-049-2, Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-, l-p-Menthan-3-one, AI3-11106, CAS-14073-97-3, 5-Methyl-2-(1-methylethyl)cyclohexanone, trans-, Cyclohexan-1-one, 2-isopropyl-5-methyl-, racemic, menthon, Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-rel-, 5-Methyl-2-(isopropyl)cyclohexanone, Menthone G, trans-p-menthone, 1-menthone, (-)menthone, NCGC00095606-01, EINECS 237-926-1, Menthan-3-one, trans, Spectrum_001299, rel-(2R,5S)-2-isopropyl-5-methylcyclohexanone, (-)-Menthone,(S), SpecPlus_000437, AC1Q1NQI, Spectrum2_000691, Spectrum3_001272, Spectrum4_001648, Spectrum5_000495, bmse000375, (-)-Menthone, 90%, EC 237-926-1, AC1L1B5L, SCHEMBL21709, BSPBio_002864, KBioGR_002115, KBioSS_001779, SPECTRUM300564, Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-(+/-)-, DivK1c_006533, SPBio_000841, CHEMBL276311, DTXSID3044384, CTK3J2003, KBio1_001477, KBio2_001779, KBio2_004347, KBio2_006915, KBio3_002364, KS-00000WVY, ZINC967796, (-)-Menthone, analytical standard, BB_NC-00294, Tox21_111510, Tox21_302153, ANW-41292, CCG-38562, FCH920051, MFCD00136033, AKOS006343213, Tox21_111510_1, ACN-035416, LMPR0102090004, LS-2354, MCULE-4105322469, PXT0000171, PXT0000172, PXT0000173, RTR-005289, SDCCGMLS-0066582.P001, 2-Isopropyl-5-methylcyclohexanone, trans, NCGC00095606-02, NCGC00178425-01, NCGC00255957-01, AJ-24551, AN-19251, AS-17440, ZB015494, (2S,5R)2-isopropyl-5-methylcyclohexanone, TR-005289, FT-0628206, C00843, (2S, 5R)-trans-2-isopropyl-5-methylcyclohexanone, SR-05000002387, (2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one, 5-Methyl-2-(1-methylethyl)-(2S,5R)-Cyclohexanone, L-Menthone, mixture of isomers, >=96%, FCC, FG, SR-05000002387-1, W-108194, (2S,5R)-5-Methyl-2-(Propan-2-Yl)Cyclohexan-1-One, 5-Methyl-2-(1-methylethyl)-(2S-trans)-Cyclohexanone, (-)-Menthone, primary pharmaceutical reference standard, UNII-9NH5J4V8FN component NFLGAXVYCFJBMK-BDAKNGLRSA-N, Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-rel-;, Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-(.+/-.)-, 1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s, InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s, trans-menthon, trans - menthone, (1r,4s)-menthone, UNII-9NH5J4V8FN, L - menthan - 3 - one, 2-Isopropyl-5-methylcyclohexanone, C10H18O, CID26447, C10-H18-O, c1067, MFCD00062998, 5-methyl-2-propan-2-ylcyclohexan-1-one, L-Menthone, 85% - 100ML 100ml, p-Menthan-3-one, (1R,4S)-(-)-, (2R,5S)-2-isopropyl-5-methylcyclohexanone, V0136, C019466, 10458-14-7,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	154.136g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.253g/mol
Monoisotopic Mass	154.136g/mol
Rotatable Bond Count	1
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
Hazard statements	H315-H317
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

Lot Number