Ethyl heptyloxyacetate
Basic information
- CAS
3938-81-6- Standard SMILES
CCCCCCCOCC(=O)OCC- InChIKey
YLCDNDWOYHGDGP-UHFFFAOYSA-N- Molecular formula
- C11H22O3
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.15689456
Names & identifiers
- Preferred name
- Ethyl heptyloxyacetate
- IUPAC
- ethyl 2-heptoxyacetate
- English name
- Ethyl n-heptyloxyacetate
- Molecular formula
- C11H22O3
- Molecular weight
- 202.29
Names & synonyms
Ethyl heptyloxyacetate3938-81-6Ethyl n-heptyloxyacetateethyl 2-heptoxyacetateETHYL 2-(HEPTYLOXY)ACETATEEthyl N-heptyl-oxyacetateD205PC85RPUNII-D205PC85RPEINECS 223-519-6starbld0006847Ethyl (heptyloxy)acetateDTXSID10960060
Show more names
ethyl 2-heptoxyethanoateEthyln-heptyloxyacetate,99%n-Heptyloxyaceticacidethylester2-heptoxyacetic acid ethyl ester(Heptyloxy)acetic acid ethyl ester
YLCDNDWOYHGDGP-UHFFFAOYSA-NAKOS009156521Acetic acid, (heptyloxy)-, ethyl esterDB-254731NS00049315ACETIC ACID, 2-(HEPTYLOXY)-, ETHYL ESTERQ27275986
Database identifiers
- CAS
3938-81-6- PubChem CID
- 77543
- DTXSID
DTXSID10960060- UNII
- D205PC85RP
- EC Number
- 223-519-6
- Nikkaji
- J217.777C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 245 · 245-247°C
- Density
- 0.919 · 0.919±0.06 g/cm3(Predicted)
- refractive index
- 1.426 · 1.4260
- FDA UNII
- 205 PC85RP · D205PC85RP
- Safety Statements
- 24 · 24/25
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
- safety_code
- 24/25
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…