Cas no 66793-73-5 (1-Hexanol,3,4,4-trimethyl-)
1-Hexanol,3,4,4-trimethyl- structure
Product Name:1-Hexanol,3,4,4-trimethyl-
CAS No:66793-73-5
MF:C9H20O
MW:144.254503250122
CID:523192
PubChem ID:3017713
Update Time:2025-04-19
1-Hexanol,3,4,4-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexanol,3,4,4-trimethyl-
- 3,4,4-trimethylhexan-1-ol
- EINECS 266-480-0
- 3,4,4-trimethyl-hexan-1-ol
- NS00053585
- 1-Hexanol, 3,4,4-trimethyl-
- SCHEMBL4947662
- DTXSID90985357
- 66793-73-5
-
- Inchi： 1S/C9H20O/c1-5-9(3,4)8(2)6-7-10/h8,10H,5-7H2,1-4H3
- InChI Key： OLRPKAJSAOYYCY-UHFFFAOYSA-N
- SMILES： OCCC(C)C(C)(C)CC
Computed Properties
- Exact Mass: 144.1515
- Monoisotopic Mass: 144.151
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 86.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.8446 (estimate)
- Melting Point: 6.15°C (estimate)
- Boiling Point: 191°C
- Flash Point: 70°C
- Refractive Index: 1.4310
- PSA: 20.23
1-Hexanol,3,4,4-trimethyl- Related Literature
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
66793-73-5 (1-Hexanol,3,4,4-trimethyl-) Related Products
- 4457-71-0(3-Methyl-1,5-pentanediol)
- 626-89-1(4-Methyl-1-pentanol)
- 3452-97-9(3,5,5-Trimethyl-1-hexanol)
- 68526-85-2(8-Methylnonan-1-ol)
- 36311-34-9(Isohexadecanol)
- 27458-93-1(Isostearylalcohol)
- 27458-94-2(Isononyl alcohol)
- 25339-17-7(isodecyl alcohol)
- 6240-11-5(1-Adamantaneethanol)
- 624-95-3(3,3-Dimethyl-1-butanol)
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