AG003LLJ

4621-04-9 | 4-Iso-propylcyclohexanol

AG003LLJ

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CAS Number	4621-04-9
Catalog Number	AG003LLJ(AGN-PC-04Y28O)
Chemical Name	4-Iso-propylcyclohexanol
EC Number	225-035-0
IUPAC Name	4-propan-2-ylcyclohexan-1-ol
InChI	InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3
InChI Key	DKKRDMLKVSKFMJ-UHFFFAOYSA-N
MDL Number	MFCD00043476
Molecular Formula	C9H18O
Molecular Weight	142.2386
NSC Number	21123
SMILES	CC(C)C1CCC(O)CC1
Synonyms	4-isopropylcyclohexanol, 4-ISOPROPYLCYCLOHEXANOL, 4621-04-9, trans-4-Isopropylcyclohexanol, 4-iso-Propylcyclohexanol, Cyclohexanol, 4-(1-methylethyl)-, 15890-36-5, p-Isopropylcyclohexanol, cis-4-isopropylcyclohexanol, Cyclohexanol, p-isopropyl-, Cyclohexanol, 4-isopropyl-, UNII-Q5HS2TR1NE, 4-(Propan-2-Yl)Cyclohexan-1-Ol, UNII-365047QI0X, trans-4-(1-Methylethyl)cyclohexanol, Q5HS2TR1NE, 22900-08-9, 4-propan-2-ylcyclohexan-1-ol, DKKRDMLKVSKFMJ-KYZUINATSA-N, DKKRDMLKVSKFMJ-UHFFFAOYSA-N, EINECS 225-035-0, NSC 21123, Cyclohexanol, cis-4-(1-methylethyl), Isopropyl cyclohexanol, 365047QI0X, Cyclohexanol, trans-4-(1-methylethyl), BRN 2322224, AI3-18156, 4-(methylethyl)cyclohexan-1-ol, MFCD00043476, UNII-3N745V536F, 4-Isopropylcyclohexanol, trans-, 3N745V536F, 4-Isopropylcyclohexanol, cis-, CCRIS 8052, NSC21123, PubChem20241, Cyclohexanol, 4-(1-methylethyl)-, cis-, AC1L2GWF, Cyclohexanol, 4-(1-methylethyl)-, trans-, ACMC-1AP0M, ACMC-209dj2, 4-isopropylcyclohexan-1-ol, AC1Q1P0Q, DSSTox_CID_27149, DSSTox_RID_82153, DSSTox_GSID_47149, SCHEMBL42884, SCHEMBL766799, trans-4-isopropyl cyclohexanol, SCHEMBL6757968, SCHEMBL7750243, CHEMBL3187028, DTXSID2047149, SCHEMBL15445652, CTK1A7292, CTK8B0904, WLN: L6TJ AQ DY1&1, DKKRDMLKVSKFMJ-DTORHVGOSA-N, 4beta-Isopropylcyclohexan-1alpha-ol, Cyclohexanol, 4-isopropyl- (8CI), ZINC1640788, cis-4-(1-methylethyl)-cyclohexanol, Tox21_302454, 4-iso-propylcyclohexanol, AldrichCPR, 6357AB, ANW-21804, MFCD02752781, NSC-21123, SBB008023, 4-ISOPROPYLCYCLOHEXANOL, 99%, AKOS012000610, AKOS015838432, ZINC100009724, ZINC114544846, FR-0770, FS-3800, TRA0053820, KS-0000151O, NCGC00256716-01, AJ-28576, AN-19528, LS-57180, CAS-4621-04-9, TC-168755, TR-006709, TR-017391, 4-Isopropylcyclohexanol(cis-andtrans-mixture), FT-0618839, I0780, I0782, ST24043822, ST50827959, 2-06-00-00035 (Beilstein Handbook Reference), 4-Isopropylcyclohexanol (cis- and trans- mixture), J-700081, I14-62620, Z2696304775, UNII-3N745V536F component DKKRDMLKVSKFMJ-DTORHVGOSA-N, UNII-3N745V536F component DKKRDMLKVSKFMJ-KYZUINATSA-N, 4-Isopropylphenol, cis-4-isopropyl-cyclohexanol, C9H18O, Cyclohexanol, 4-isopropyl-, cis-, CID20739, Cyclohexanol, 4-isopropyl-, trans-, 4-Isopropylcyclohexanol (cis- andtrans- mixture), 99-89-8,

Complexity	90.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.136g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	142.242g/mol
Monoisotopic Mass	142.136g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315
Packing Group
Precautionary statements	P210-P264-P280-P302+P352+P332+P313+P362+P364-P370+P378-P403+P235-P501
UN Code

Certificate of Analysis

Lot Number