AG0033AN

106-67-2 | 2-Ethyl-4-methylpentanol

AG0033AN

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CAS Number	106-67-2
Catalog Number	AG0033AN(AGN-PC-08WDDI)
Chemical Name	2-Ethyl-4-methylpentanol
EC Number	203-422-5
IUPAC Name	2-ethyl-4-methylpentan-1-ol
InChI	InChI=1S/C8H18O/c1-4-8(6-9)5-7(2)3/h7-9H,4-6H2,1-3H3
InChI Key	QCHSJPKDWOFACC-UHFFFAOYSA-N
MDL Number	MFCD01709207
Molecular Formula	C8H18O
Molecular Weight	130.2279
SMILES	C(C)C(CO)CC(C)C
Synonyms	2-Ethyl-4-methylpentan-1-ol, 2-Ethyl-4-methyl-1-pentanol, 106-67-2, 2-Ethyl-4-methylpentanol, 1-Pentanol, 2-ethyl-4-methyl-, 2-Ethylisohexanol, BRN 1697441, 1-pentanol,2-ethyl-4-methyl-, EINECS 203-422-5, UNII-80V2E9GXUZ, 80V2E9GXUZ, AC1L1PML, 111767-90-9, 4-01-00-01792 (Beilstein Handbook Reference), SCHEMBL135878, QSPL 107, 2-ethyl-4-methyl-pentan-1-ol, CHEBI:89186, QCHSJPKDWOFACC-UHFFFAOYSA-, QCHSJPKDWOFACC-UHFFFAOYSA-N, AKOS014320379, TRA0014619, AN-22442, LS-101892, KS-00000128, InChI=1/C8H18O/c1-4-8(6-9)5-7(2)3/h7-9H,4-6H2,1-3H3, 10137-88-9, C8H18O, CID7821, C8-H18-O,

Complexity	59.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	130.136g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	130.231g/mol
Monoisotopic Mass	130.136g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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