AG007I4W

31906-04-4 | 4-(4-Hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde

AG007I4W

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CAS Number	31906-04-4
Catalog Number	AG007I4W(AGN-PC-05WONF)
Chemical Name	4-(4-Hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde
EC Number	250-863-4
IUPAC Name	4-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
InChI	InChI=1S/C13H22O2/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,10,12,15H,3-4,6-9H2,1-2H3
InChI Key	ORMHZBNNECIKOH-UHFFFAOYSA-N
MDL Number	MFCD00019423
Molecular Formula	C13H22O2
Molecular Weight	210.3126
SMILES	C(C(C)(C)O)CCC1=CCC(CC1)C=O
Synonyms	4-(4-hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde, hydroxyisohexyl 3-cyclohexene carboxaldehyde, Lyral, Lyral, 31906-04-4, 4-(4-Hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde, 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde, 4-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde, 3-Cyclohexene-1-carboxaldehyde, 4-(4-hydroxy-4-methylpentyl)-, EINECS 250-863-4, BRN 2046455, AK-72976, W-106870, Liral, Kovanol, Landolal, Mugonal, PubChem14601, ACMC-209uak, AC1L3MEY, Lyral, mixture of isomers, DSSTox_CID_7970, DSSTox_RID_78626, DSSTox_GSID_27970, SCHEMBL112060, AC1Q6Q22, CHEMBL3182066, DTXSID1027970, CTK8B3947, KS-00000GIE, ORMHZBNNECIKOH-UHFFFAOYSA-N, Tox21_200394, ANW-43530, MFCD00019423, AKOS015918009, FS-4825, ACM31906044, NCGC00248589-01, NCGC00257948-01, BR-72976, LS-57409, CAS-31906-04-4, TR-013483, 4CH-007431, AM20090457, CS-0085252, FT-0648910, ST24028773, V0589, S-2485, 906L044, A821058, C-58112, I14-9054, 3(4)-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde, 4-(4-hydroxy-4-methylpentyl)-1-cyclohex-3-enecarboxaldehyde, 4-(4-methyl-4-oxidanyl-pentyl)cyclohex-3-ene-1-carbaldehyde, Lyral;4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde, 4-(4-Hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde (mixture of isomers), 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde mixture of isomers, >=97.0% (GC), 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde, mixture of isomers, >=97.0% (GC), 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde, mixture of isomers, analytical standard, UNII-QUE43B9Z2Q, QUE43B9Z2Q, C13H22O2, CID91604, AR-1F6311, C13-H22-O2, hydroxyisohexyl 3-cyclohexene carboxaldehyde, 3 and 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde, 4 - (4 - hydroxy - 4 - methylpentyl)cyclohex - 3 - enecarbaldehyde, 58066-88-9,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.162g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.317g/mol
Monoisotopic Mass	210.162g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number