Decanoic acid;2-ethylhexan-1-ol;8-methylnonan-1-ol;octanoic acid
Basic information
- CAS
68954-22-3- Standard SMILES
CC(C)CCCCCCCO.CCCCC(CC)CO.CCCCCCCC(=O)O.CCCCCCCCCC(=O)O- InChIKey
LZVYPFGQXBCPDX-UHFFFAOYSA-N- Molecular formula
- C36H76O6
- Average molar mass
- 605 g/mol
- Monoisotopic mass
- 604.56419014
Names & identifiers
- Preferred name
- Decanoic acid;2-ethylhexan-1-ol;8-methylnonan-1-ol;octanoic acid
- IUPAC
- decanoic acid;2-ethylhexan-1-ol;8-methylnonan-1-ol;octanoic acid
- English name
- Decanoic acid, mixed esters with 2-ethyl-1-hexanol, isodecyl alc. and octanoic acid
- Molecular formula
- C10H22O.C10H20O2.C8H18O.C8H16O2
- Molecular weight
- 605
Names & synonyms
LZVYPFGQXBCPDX-UHFFFAOYSA-NDecanoic acid, mixed esters with 2-ethyl-1-hexanol, isodecyl alc. and octanoic acid
Database identifiers
- CAS
68954-22-3- PubChem CID
- 111467
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 26
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- EPA Substance Registry System
- 2 · Decanoic acid, mixed esters with 2-ethyl-1-hexanol, isodecyl alc. and octanoic acid (68954-22-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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