AG00IF7Q

88581-00-4 | 4-[(1s,4r)-4-butylcyclohexyl]phenol

AG00IF7Q

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CAS Number	88581-00-4
Catalog Number	AG00IF7Q(AGN-PC-0VMLUB)
Chemical Name	4-[(1s,4r)-4-butylcyclohexyl]phenol
EC Number	618-183-6
IUPAC Name	4-(4-butylcyclohexyl)phenol
InChI	InChI=1S/C16H24O/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h9-14,17H,2-8H2,1H3
InChI Key	SJXVTMAQPHVBEG-UHFFFAOYSA-N
MDL Number	MFCD00673752
Molecular Formula	C16H24O
Molecular Weight	232.3612
SMILES	C(CCC)[C@H]1CC[C@@H](CC1)c1ccc(cc1)O
Synonyms	4-(trans-4-Butylcyclohexyl)phenol, 88581-00-4, 4-(trans-4-n-Butylcyclohexyl)phenol, 4-((1s,4r)-4-butylcyclohexyl)phenol, 4-[(1S,4R)-4-BUTYLCYCLOHEXYL]PHENOL, SCHEMBL5473160, SCHEMBL9572094, 4-BUTYL-CYCLOHEXYL PHENOL, p-(trans-4-butylcyclohexyl)phenol, KS-00000NO8, trans-4-(4n-butylcyclohexyl)phenol, Nb(trans-4-N-butylcyclohexyl)phenol, trans-4-(4-butylcyclohexyl)-phenol, MFCD00673752, AKOS015917877, ZINC100232550, ZINC245224212, CB-2071, AK400333, DS-13204, Phenol, 4-(4-butylcyclohexyl)-, trans-, 4-(trans-4-n-butylcyclohexyl)phenol (4pco), B2644, FT-0642097, 1-(trans-4-Butylcyclohexyl)-4-hydroxybenzene, 4-(trans-4-n-butylcyclohexyl)phenol,4pcoc16h24o, 581N004, I14-9175, 4- PHENOL, 4-Aminomethyl-2,6-dichloropyridine,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.183g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.367g/mol
Monoisotopic Mass	232.183g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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