Basic information
- CAS
2216-81-1- Standard SMILES
CCCCCCCOC(=O)CC- InChIKey
BGYICJVBGZQOCY-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Overview
heptyl propanoate has been reported in Humulus lupulus with data available.
Names & identifiers
- Preferred name
- Heptyl propionate
- IUPAC
- heptyl propanoate
- English name
- N-HEPTYL PROPIONATE
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
heptyl propanoateHEPTYL PROPIONATE2216-81-1n-Heptyl propionatePropionic acid, heptyl esterEINECS 218-698-2AI3-21504DTXSID00176693ENT 21504RefChem:145737DTXCID2099184218-698-2
Show more names
heptylpropionateN-HEPTYL PROPIOTEpropionicacidheptylesterpropanoicacidheptylester
BGYICJVBGZQOCY-UHFFFAOYSA-NPropanoic acid, heptyl esterpropanoic acid heptyl esterSCHEMBL1471551SCHEMBL4364153SCHEMBL4364155SCHEMBL7839868SBB060313
Database identifiers
- CAS
2216-81-1- PubChem CID
- 16670
- DTXSID
DTXSID00176693- EC Number
- 218-698-2
- Nikkaji
- J95.503E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -50.9 °C · -50.9°C
- Boiling point
- 210.04 °C · 210.04°C
- Density
- 0.8636 · 0.8636
- refractive index
- 1.4137 · 1.4137
- Odor
- 100 % · at 100.00 %. rose apricot
- Odor Type
- floral
- LogP
- 3.842 · 3.842 (est)
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 InformationPropanoic acid, heptyl ester: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Suppliers6 total
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
吉良化学21-62165282 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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