Completing data — refresh the page later to see the latest
Basic information
- CAS
3990-05-4- Standard SMILES
CCOC(=O)CCCCCC=O- InChIKey
SQOMZPCAODNNSO-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- Heptanoic acid, 7-oxo-, ethyl ester
- IUPAC
- ethyl 7-oxoheptanoate
- English name
- ethyl 7-oxoheptanoate
- Molecular formula
- C9H16O3
- Molecular weight
- 172.22
Names & synonyms
Ethyl 7-oxoheptanoate3990-05-4Heptanoic acid, 7-oxo-, ethyl esterXPE5TVP88YDTXSID40192953RefChem:1086450DTXCID80115444223-636-2MFCD071862586-Formylhexansaeure-ethylesterethyl7-oxoheptanoateethyl 6-formylhexanoate
Show more names
SCHEMBL362356orb3176918SCHEMBL2441236EINECS 223-636-2AKOS006286759AS-49776DA-19184SY244708
Database identifiers
- CAS
3990-05-4- PubChem CID
- 77609
- DTXSID
DTXSID40192953- UNII
- XPE5TVP88Y
- EC Number
- 223-636-2
- Nikkaji
- J217.816H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 88 · 88-91℃ (0.2 Torr)
- Density
- 0.968 g/ml · 0.968g/ml
- refractive index
- 1.4405 · 1.4405 (20℃)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers19 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南京克迪特贸易有限公司025-52164950 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
重庆艾思摩尔科技有限公司023-86822659 18611316925 · [email protected]
北京艾德旺科技发展有限公司010-69729398 18612521532 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
上海锋基医药科技有限公司15555063509 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
30 records
Compound notes
Loading…