Basic information
- CAS
14272-47-0- Standard SMILES
CCCCC(CC)CC(=O)O- InChIKey
MCLMZMISZCYBBG-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 3-Ethylheptanoic acid
- IUPAC
- 3-ethylheptanoic acid
- English name
- 3-ETHYLHEPTANOIC ACID
- Molecular formula
- C9H18O2
- Molecular weight
- 158.24
Names & synonyms
3-Ethylheptanoic acid14272-47-0DTXSID90931612RefChem:93852DTXCID201009831MCLMZMISZCYBBG-UHFFFAOYSA-N3-ETHYLHEPTANOICACIDMFCD00060838Heptanoic acid, 3-ethyl-3-ethyl-heptanoic acidl-3-Butylpentanoic acidSCHEMBL140442
Show more names
3-Aethyl-heptansaeure
SCHEMBL3751652-ethyl hexane carboxylic acidSCHEMBL27637179PAA27247AKOS008148140CS-0217621EN300-79905A10554
Database identifiers
- CAS
14272-47-0- PubChem CID
- 139715
- DTXSID
DTXSID90931612- EC Number
- 196-356-0
- Nikkaji
- J437.659E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
Kovats Retention Index2048
Physicochemical properties
- Boiling point
- 246.47 °C · 246.47°C (estimate)
- Density
- 0.9113 · 0.9113 (rough estimate)
- refractive index
- 1.4159 · 1.4159 (estimate)
- pka
- 4.8 · 4.80±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers19 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [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025-58859352 13913916777 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Related reactions
1 records
Compound notes
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