Basic information
- CAS
60160-17-0- Standard SMILES
CCCCCCCCCC(=O)OCCCCCCC- InChIKey
MPLLSYWBBPPERF-UHFFFAOYSA-N- Molecular formula
- C17H34O2
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.25588032
Names & identifiers
- Preferred name
- Heptyl decanoate
- IUPAC
- heptyl decanoate
- English name
- n-Capric acid n-heptyl ester
- Molecular formula
- C17H34O2
- Molecular weight
- 270.45
Names & synonyms
Heptyl decanoate60160-17-0Heptyl capraten-Capric acid n-heptyl esterEINECS 262-089-4DTXSID30208895RefChem:145730DTXCID80131386262-089-4MPLLSYWBBPPERF-UHFFFAOYSA-NDecanoic acid, heptyl esterheptandecanoate
Show more names
Heptyl decanateN-HEPTYL N-DECANOATEcapricacidheptylesterN-DECANOIC ACID N-HEPTYL ESTER
Heptyl decanoate #SCHEMBL333638SCHEMBL7836445SCHEMBL7839626NS00034305Q63409735
Database identifiers
- CAS
60160-17-0- PubChem CID
- 108902
- DTXSID
DTXSID30208895- EC Number
- 262-089-4
- Nikkaji
- J115.103G
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 172 °C · 172 °C / 12mmHg
- Density
- 0.86 · 0.86
- Odor
- 100 % · at 100.00 %. winey brandy cognac
- Odor Type
- winey
- LogP
- 7.409 · 7.409 (est)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationDecanoic acid, heptyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 3
Chemistry & industry
Suppliers7 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
吉良化学21-62165282 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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