CAS: 144-19-4
Name: 2,2,4-trimethylpentane-1,3-diol
SMILES:
CC(C)C(C(C)(C)CO)OMolecular Processing
Molecular formula
C8H18O2
Molecular weight
146.23
Exact mass
146.1307
XLogP
1.02
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
1
Molar refractivity
41.71
Supplementary Information
InChIKey: JCTXKRPTIMZBJT-UHFFFAOYSA-N
Synonyme
2,2,4-TRIMETHYL-1,3-PENTANEDIOL144-19-42,2,4-Trimethylpentane-1,3-diol1,3-Pentanediol, 2,2,4-trimethyl-TMPD (alcohol)Trimethyl-1,3-PentanediolCaswell No. 893DTXSID8027113HSDB 1136NSC 6368EINECS 205-619-1EPA Pesticide Chemical Code 041002BRN 1698098WT1X081P0LAI3-02706NSC-6368EASTMAN TMPD GLYCOLDTXCID407113EC 205-619-14-01-00-02604 (Beilstein Handbook Reference)RefChem:4407151,3Pentanediol, 2,2,4trimethyl(+-)-TRIMETHYL-1,3-PENTANEDIOLTRIMETHYL-1,3-PENTANEDIOL [INCI]TRIMETHYL-1,3-PENTANEDIOL, (+-)-InChI=1/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4HTMPD GlycolMFCD00004681UNII-WT1X081P0L2,2,4-Trimethyl-1,3-pentanediol; NSC 6368; Nexcoat 795; TMPD (Alcohol)
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