Basic information
- CAS
72785-17-2- Standard SMILES
CCC(C)CCCC(C)(C)OC=O- InChIKey
KQZSQDZXBHFWGC-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Names & identifiers
- Preferred name
- 2-Octanol, 2,6-dimethyl-, 2-formate
- IUPAC
- 2,6-dimethyloctan-2-yl formate
- English name
- 2,6-dimethyl-2-octyl formate
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29118
Names & synonyms
2,6-Dimethyloctan-2-yl formate72785-17-22-Octanol, 2,6-dimethyl-, formate2-Octanol, 2,6-dimethyl-, 2-formateEINECS 276-838-8DTXSID10888194RefChem:88852DTXCID2010274752,6-Dimethyl-2-octyl formateSCHEMBL25228829KQZSQDZXBHFWGC-UHFFFAOYSA-N2,6-Dimethyl-2-octanol formate
Show more names
2-Octanol,2,6-dimethyl-, 2-formate
Database identifiers
- CAS
72785-17-2- PubChem CID
- 175159
- DTXSID
DTXSID10888194- EC Number
- 276-838-8
- Nikkaji
- J318.830B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- LogP
- 4.042 · 4.042 (est)
- EPA Substance Registry System
- 2 · 2-Octanol, 2,6-dimethyl-, formate (72785-17-2)
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Octanol, 2,6-dimethyl-, 2-formate: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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