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Home> Hot Product Listed H   > Hexanoic acid,2-methyl-, anhydride with 2-methylhexanoic acid
119-07-3 structure

Hexanoic acid,2-methyl-, anhydride with 2-methylhexanoic acid

CAS No.:119-07-3
Molecular Weight:418.60928
Molecular Formula:C10H18O4 (isomer)
Names and Identifiers
Synonyms

2-methylhexanoic anhydride 2-methylhexanoyl 2-methylhexanoate acm40607849 AK194209 AKOS025396820 CTK4I3423 DTXSID50675469 Hexanoicacid, 2-methyl-, anhydride (9CI) LP007253 SCHEMBL1739770

Inchi
InChI=1/C26H42O4/c1-3-5-7-9-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
InChkey
LVAGMBHLXLZJKZ-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
Properties
Density
1.721
Melting Point
-50 C
Vapour
8.72E-08mmHg at 25°C
Refractive Index
1.489
Safety and Handling
Safety Statements
Mildly toxic by ingestion. Combustible when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:418.60928g/mol
  • Molecular Formula:C10H18O4
  • XLogP3-AA:10.1
  • Exact Mass:418.30831
  • Monoisotopic Mass:418.30831
  • Complexity:435
  • Rotatable Bond Count:20
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6
  • Heavy Atom Count:30
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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