AG006RAD

98-53-3 | 4-TERT-BUTYLCYCLOHEXANONE

AG006RAD

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CAS Number	98-53-3
Catalog Number	AG006RAD(AGN-PC-0CAMQC)
Chemical Name	4-TERT-BUTYLCYCLOHEXANONE
EC Number	202-678-5
IUPAC Name	4-tert-butylcyclohexan-1-one
InChI	InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
InChI Key	YKFKEYKJGVSEIX-UHFFFAOYSA-N
MDL Number	MFCD00001642
Molecular Formula	C10H18O
Molecular Weight	154.2493
NSC Number	73717
SMILES	C(C)(C)(C)C1CCC(=O)CC1
UNII	4M45G11K23
Synonyms	4-tert-Butylcyclohexanone, 98-53-3, 4-(tert-Butyl)cyclohexanone, p-tert-Butylcyclohexanone, Cyclohexanone, 4-(1,1-dimethylethyl)-, Cyclohexanone, p-tert-butyl-, 4-tert-butylcyclohexan-1-one, C 64, Cyclohexanone, 4-tert-butyl-, 4-t-Butylcyclohexanone, NSC 73717, UNII-4M45G11K23, 4-(tert-butyl)cyclohexan-1-one, EINECS 202-678-5, MFCD00001642, BRN 0507309, AI3-04092, .gamma.-tert-Butylcyclohexanone, 4-tert-Butylcyclohexanone, 99%, YKFKEYKJGVSEIX-UHFFFAOYSA-N, 4M45G11K23, PubChem20244, 4-tertbutylcyclohexanone, ACMC-209sal, 4-t-butyl cyclohexanone, 4-terbutyl-cyclohexanone, 4-tert butylcyclohexanone, 4tert-butyl cyclohexanone, AC1L1ONP, 4-tert-butyl cyclohexanone, 4-tert-butyl-cyclohexanone, EC 202-678-5, AC1Q1MF6, DSSTox_CID_24394, DSSTox_RID_80195, DSSTox_GSID_44394, para-tert-butyl cyclohexanone, SCHEMBL41691, 4-07-00-00082 (Beilstein Handbook Reference), KSC493G8R, 4-tert-butyl cyclohexan-1-one, 4-tert-butyl-cyclohexan-1-one, CHEMBL3188541, DTXSID7044394, L6VTJ DX1&1&1, CTK3J3388, WLN: L6VTJ DX1&1&1, 4-TERT.BUTYL-CYCLOHEXANONE, HT242, BCP22018, KS-00000V6W, NSC73717, ZINC1081255, 4-(1,1-dimethylethyl)cyclohexanone, Tox21_302032, 6907AC, 98-53-3 4-tert-butylcyclohexanone, ANW-40939, BBL010727, NSC-73717, SBB007656, STK530988, 4-(1,1-dimethylethyl)-cyclohexanone, AKOS000119562, Cyclohexanone, 4-tert-butyl- (8CI), FR-0057, FS-4254, MCULE-7473209514, RL06116, RTR-030331, CAS-98-53-3, TRA-0197071, NCGC00255976-01, AJ-24928, AN-24484, CJ-04736, LS-57283, SC-91867, ZB015908, TR-030331, AM20070522, FT-0619507, ST24032715, ST50211277, T8330, W-109371, I14-20896, F0001-2317, Z1250100700, InChI=1/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H, 4-tert-Butylcyclohexanon, 2-tert-Butylcyclohexanone, Butylcyclohexanone, p-tert-, 4-(Dimethylethyl)cyclohexanone, 4 - tert - butylcyclohexanone, Cyclohexanone,1-dimethylethyl)-, C10H18O, CID7392, C10-H18-O, ACN-052656, Ciclohexanona, 4-(1,1-dimetiletil)-, 4-tert-Butylcyclohexanone, 99% 100g, B1074, 4-tert-Butylcyclohexanone, 99% - 100G 100g,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	2.6

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