AG007J0F

33704-61-9 | 1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydro-1H-inden-4-one

AG007J0F

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CAS Number	33704-61-9
Catalog Number	AG007J0F(AGN-PC-0JLZKQ)
Chemical Name	1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydro-1H-inden-4-one
EC Number	251-649-3
IUPAC Name	1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one
InChI	InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3
InChI Key	MIZGSAALSYARKU-UHFFFAOYSA-N
MDL Number	MFCD00216987
Molecular Formula	C14H22O
Molecular Weight	206.3239
SMILES	O=C1C2=C(C(C)(C)C(C)C2(C)C)CCC1
Synonyms	6,7-dihydro-1,1,2,3,3-pentamethyl-4-(5H)indanone, cashmeran, Cashmeran, 33704-61-9, Casmierone, 1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one, 1,1,2,3,3-Pentamethyl-2,3,6,7-tetrahydro-1H-inden-4(5H)-one, 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-, 6,7-Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone, DPMI, EINECS 251-649-3, 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one, MIZGSAALSYARKU-UHFFFAOYSA-N, Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone, Musk indanone, (+-)-Cashmeran, CCRIS 8406, 6,7-Dihydro-1,1,2,3,3-pentamethyl-4-(5H)indanone, AC1L3NTJ, 1,1,2,3,3-pentamethyl-1,2,3,5,6,7-hexahydro-4h-inden-4-one, EC 251-649-3, AC1Q6CV8, DSSTox_CID_27399, DSSTox_RID_82319, DSSTox_GSID_47399, SCHEMBL232766, CHEMBL3183584, DTXSID8047399, CTK4H1099, s559, DPMI 10 microg/mL in Cyclohexane, Tox21_302677, MFCD00216987, AKOS022171974, ( inverted exclamation markA)-Cashmeran, ACM33704619, NCGC00256636-01, AN-28751, AS-16133, CAS-33704-61-9, LS-166764, TX-015817, FT-0664402, 704D619, J-019301, 1,1,2,3,3-pentamethyl-1,2,3,5,6,7-hexahydro-inden-4-one, 4H-Inden-4-one,1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-, 6,7-dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone, AldrichCPR, UNII-BZR4438MY4, Bis(7-methyloctyl) adipate, C14H22O, BZR4438MY4, KST-1B3408, CID92292, AR-1B3973, C14-H22-O, C110694, DPMI (6,7-Dihydro-1,1,2,3,3-pentamethyl-4[5H]indanone), 4h-inden-4-ona, 1,2,3,5,6,7-hexahidro-1,1,2,3,3-pentametil-, 3475-65-8, 1,2,3,5,6,7 - hexahydro - 1,1,2,3,3 - pentamethyl - 4H - inden - 4 - one,

Complexity	344
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.167g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.329g/mol
Monoisotopic Mass	206.167g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H317-H319-H411
Packing Group	Ⅲ
Precautionary statements	P261-P280-P273-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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