AG00I9BC

5208-93-5 | 3-Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol

AG00I9BC

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CAS Number	5208-93-5
Catalog Number	AG00I9BC(AGN-PC-0JLCI4)
Chemical Name	3-Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol
IUPAC Name	(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
InChI	InChI=1S/C15H24O/c1-6-15(5,16)11-9-13-12(2)8-7-10-14(13,3)4/h6,9,11,16H,1,7-8,10H2,2-5H3/b11-9+
InChI Key	PZGYHDPZANRCSM-PKNBQFBNSA-N
MDL Number	MFCD09751288
Molecular Formula	C15H24O
Molecular Weight	220.3505
SMILES	C=CC(O)(C)/C=C/C1=C(C)CCCC1(C)C
Synonyms	Vinyl-beta-ionol, 5208-93-5, 3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol, 59057-30-6, 1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol, EINECS 226-006-5, vinyl beta-ionol, Ethylene-|A-ionol, EINECS 261-585-8, ETHYLENE-BETA-IONOL, EC 226-006-5, AC1O5MI5, SCHEMBL6896309, 3-Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol, PZGYHDPZANRCSM-PKNBQFBNSA-N, 7310AB, MFCD09751288, AKOS016010348, (E)-(1)-3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol, AS-10503, AT-24059, 4CH-025191, ST24050351, A828917, W-109151, (1E)-3-Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol, (1E)-3-methyl-1-(2,6,6-trimethyl-1-cyclohexenyl)-3-penta-1,4-dienol, (E)-1-(2,6,6-Trimethyl-1-cyclohexenyl)-3-methyl-1,4-pentadiene-3-ol, 3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-yl) pwnta-1,4-dien-3-ol, (E)-( inverted exclamation markA)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol, Ethylene-b-ionol, C15H24O, C15-H24-O, CID6436846, 1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)-, (E)-(+-)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	220.183g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.356g/mol
Monoisotopic Mass	220.183g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number