Basic information
- CAS
817-60-7- Standard SMILES
CCCCCC(CC)CO- InChIKey
QNJAZNNWHWYOEO-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Names & identifiers
- Preferred name
- 2-Ethyl-1-heptanol
- IUPAC
- 2-ethylheptan-1-ol
- English name
- 2-ethylheptan-1-ol
- Molecular formula
- C9H20O
- Molecular weight
- 144.25
Names & synonyms
2-Ethylheptan-1-ol817-60-72-ethylheptanol2-ethyl-1-heptanolCI3S690F5ODTXSID601002132RefChem:1063013DTXCID001429071212-444-41-Heptanol, 2-ethyl-EINECS 212-444-4UNII-CI3S690F5O
Show more names
octane-3-methanol2-Ethylheptanol-1SCHEMBL668630SCHEMBL1050005SCHEMBL9407881SCHEMBL27706407QNJAZNNWHWYOEO-UHFFFAOYSA-NMFCD21672202
Database identifiers
- CAS
817-60-7- PubChem CID
- 102494
- DTXSID
DTXSID601002132- UNII
- CI3S690F5O
- EC Number
- 212-444-4
- Nikkaji
- J193.208J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 61.7
Physicochemical properties
- Melting point
- 6.15 °C · 6.15°C (estimate)
- Boiling point
- 192.9 °C · 192.9°C (estimate)
- Density
- 0.8446 · 0.8446 (estimate)
- refractive index
- 1.4301 · 1.4301
- Henry's Law Constant
- 4.9 · 4.9×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 3 S690F5O · CI3S690F5O
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [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]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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