AG000FKE

115-84-4 | 1,3-Propanediol, 2-butyl-2-ethyl-

AG000FKE

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CAS Number	115-84-4
Catalog Number	AG000FKE(AGN-PC-0JL48N)
Chemical Name	1,3-Propanediol, 2-butyl-2-ethyl-
EC Number	204-111-7
IUPAC Name	2-butyl-2-ethylpropane-1,3-diol
InChI	InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3
InChI Key	DSKYSDCYIODJPC-UHFFFAOYSA-N
MDL Number	MFCD00004697
Molecular Formula	C9H20O2
Molecular Weight	160.2539
NSC Number	406603
SMILES	OCC(CC)(CCCC)CO
UNII	61P3KJ8K4Y
Synonyms	2-butyl-2-ethyl-1,3-propanediol, 2-Butyl-2-ethyl-1,3-propanediol, 115-84-4, 2-Ethyl-2-butyl-1,3-propanediol, 3,3-Bis(hydroxymethyl)heptane, 2-Butyl-2-ethylpropanediol, Caswell No. 129, 1,3-PROPANEDIOL, 2-BUTYL-2-ETHYL-, 2-butyl-2-ethylpropane-1,3-diol, 2-Ethyl-2-butyl-1,3-propandeiol, BEPD, UNII-61P3KJ8K4Y, NSC 406603, BEP, EINECS 204-111-7, EPA Pesticide Chemical Code 041003, BRN 1737392, AI3-03775, 61P3KJ8K4Y, 2-Ethyl-2-butylpropanediol-1,3, DSKYSDCYIODJPC-UHFFFAOYSA-N, 1,3-Propanediol,2-butyl-2-ethyl-, W-109421, AC1L1UER, ACMC-1C5QG, 1, 2-butyl-2-ethyl-, EC 204-111-7, DSSTox_CID_21400, DSSTox_RID_79713, DSSTox_GSID_41400, SCHEMBL21161, 4-01-00-02611 (Beilstein Handbook Reference), CHEMBL3185639, DTXSID8041400, CTK4A9514, 2-butyl-2-ethyl1,3-propanediol, 2-butyl-2-ethyl-1,3-propandiol, 2-ethyl-2-butyl-1,3-propandiol, ZINC1599309, 2-butyl-2-ethyl-1,3 -propanediol, 2-Ethyl-2-butyl-1,3-propanediole, Tox21_301187, ANW-16909, MFCD00004697, NSC406603, 2-n-Butyl-2-ethyl-1,3-propanediol, 2-Ethyl-2-(hydroxymethyl)-1-hexanol, 2-N-Butyl-2-Ethyl-1 3-Propanediol, 2-n-butyl-2-ethyl-1,3-propane diol, AKOS015839515, FR-2455, NSC-406603, NCGC00248322-01, NCGC00255085-01, CAS-115-84-4, CC-09757, CJ-25694, SC-51156, 2-Butyl-2-ethyl-1,3-propanediol, 99%, LS-120206, TR-002973, B0922, FT-0611632, X7166, C-33959, 2-Ethyl-2-butyl-1,3-propanediol, analytical standard, I14-48662, F8889-0416, InChI=1/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H, Nexcoat 700, C(CC)(CO)(CO)CCCC, C9H20O2, 3 3-Bis(hydroxymethyl)heptane, 2-Butyl-2-ethyl-1 3-propanediol, 2-Ethyl-2-butyl-1 3-propanediol, CID61038, 1,3-propanodiol, 2-butil-2-etil-, C9-H20-O2, PROPANE-1,3-DIOL, 2-BUTYL-2-ETHYL-, DMH,

Complexity	87.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.146g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	160.257g/mol
Monoisotopic Mass	160.146g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number