AG001IRE

144-19-4 | 1,3-Pentanediol, 2,2,4-trimethyl-

AG001IRE

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CAS Number	144-19-4
Catalog Number	AG001IRE(AGN-PC-0JK8SL)
Chemical Name	1,3-Pentanediol, 2,2,4-trimethyl-
EC Number	205-619-1
IUPAC Name	2,2,4-trimethylpentane-1,3-diol
InChI	InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
InChI Key	JCTXKRPTIMZBJT-UHFFFAOYSA-N
MDL Number	MFCD00004681
Molecular Formula	C8H18O2
Molecular Weight	146.2273
NSC Number	6368
SMILES	CC(C)C(O)C(C)(C)CO
Synonyms	2,2,4-TRIMETHYL-1,3-PENTANEDIOL, 144-19-4, 2,2,4-Trimethylpentane-1,3-diol, TMPD, 1,3-Pentanediol, 2,2,4-trimethyl-, TMPD (alcohol), Caswell No. 893, TMPD Glycol, HSDB 1136, NSC 6368, EINECS 205-619-1, EPA Pesticide Chemical Code 041002, BRN 1698098, AI3-02706, JCTXKRPTIMZBJT-UHFFFAOYSA-N, 2,2,4-Trimethyl pentanediol-1,3, MFCD00004681, W-108160, ACMC-1BRGN, AC1L1RZY, DSSTox_CID_7113, EC 205-619-1, AC1Q1O8A, DSSTox_RID_78314, DSSTox_GSID_27113, SCHEMBL19645, 4-01-00-02604 (Beilstein Handbook Reference), KSC489M4D, Jsp002591, CHEMBL3184961, DTXSID8027113, 2,4-Trimethyl-1,3-pentanediol, CTK3I9641, NSC6368, 2,2,4-trimethylpentan-1,3-diol, NSC-6368, Tox21_200443, ACM144194, ANW-20836, AKOS002313503, AKOS016051412, FCH1112892, MCULE-8458650598, RTR-005622, TRA0169538, 2,2,4-trimethyl-1,3-dihydroxypentane, 1,3-Dihydroxy-2,2,4-trimethyl pentane, NCGC00248618-01, NCGC00257997-01, AK114226, AN-23268, CAS-144-19-4, CC-06372, 2,2,4-Trimethyl-1,3-pentanediol, 97%, AB1008358, AX8064124, LS-101672, ST2415579, TR-005622, FT-0609108, ST50759404, WLN: Q1X1 & 1 & YQY1 & 1, C-33953, I14-47815, InChI=1/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H, null, Nexcoat 795, UNII-WT1X081P0L, 1, 2,2,4-trimethyl-, C8H18O2, WT1X081P0L, CID8946, 2,2,4-Trimetil-1,3-pentanodiol, 2 2 4-Trimethyl-1 3-pentanediol, C8-H18-O2, 1,3-pentanodiol, 2,2,4-trimetil-, T0483, 103057-44-9, 22006-96-8,

Complexity	97.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.131g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	146.23g/mol
Monoisotopic Mass	146.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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