6-Methyl-1-heptanol

Base Information

• Chemical Name: 6-Methyl-1-heptanol
• CAS No.: 68526-83-0
• Molecular Formula: C8H18O
• Molecular Weight: 130.23
• European Community (EC) Number: 271-231-4,255-061-8,271-361-1,248-133-5,846-641-7
• ICSC Number: 0497
• UN Number: 1993
• UNII: IJF7D6C38T
• DSSTox Substance ID: DTXSID50872375
• Nikkaji Number: J12.469I
• Wikidata: Q27280756
• Mol file: 68526-83-0.mol

Synonyms:6-METHYL-1-HEPTANOL;6-METHYLHEPTAN-1-OL;Isooctanol;1653-40-3;1-Heptanol, 6-methyl-;ISOOCTYL ALCOHOL;26952-21-6;6-Methylheptanol;68526-83-0;6-Methylheptanol (90per cent);6-methyl-heptan-1-ol;UNII-IJF7D6C38T;IJF7D6C38T;EINECS 271-231-4;EINECS 271-361-1;MFCD00060842;EC 271-231-4;68551-09-7;EINECS 255-061-8;METHYL HEPTANOL;Titanium(4+) 6-methylheptan-1-olate;isooctylalcohol;Oxooctyl alcohol;Isooctan-1-ol;Exxal 8;(Isooctyl alcohol );isooctan - 1 - ol;IOA (CHRIS Code);UNII-24SN77KGQP;2-Oktanol (Isooktylalkohol);Isooktylalkohol (2-Oktanol);SCHEMBL26877;MHN;QSPL 119;CHEBI:44009;HSDB 6486;DTXSID50872375;EINECS 248-133-5;STL453649;AKOS006273543;AS-44335;CS-0210352;FT-0627438;FT-0671806;EN300-219548;Q27280756;Z1198149583

Chemical Property of 6-Methyl-1-heptanol

Chemical Property:

• Vapor Pressure: 0.2 mm Hg ( 20 °C)
• Melting Point: -76 °C(lit.)
• Refractive Index: n20/D 1.431(lit.)
• Boiling Point: 179.2 °C at 760 mmHg
• Flash Point: 71.1 °C
• PSA: 20.23000
• Density: 0.821 g/cm³
• LogP: 2.19510
• Water Solubility.: 814mg/L at 25℃
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 50.5
• Transport DOT Label: Combustible Liquid

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 37/38-41
• Safety Statements: 26-36/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB,Solvents -> Alcohols (
• Canonical SMILES: CC(C)CCCCCO
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.
• Uses: Plasticizer for PVC resins, defoaming agent, wetting agent; organic synthesis; solvent mix for nitrocellulose, paints, lacquers, baking finishes; penetrant for mercerizing cotton; textile finishing compounds; plasticizers; inks; rubber; paper; lubricants