Basic information
- CAS
817-46-9- Standard SMILES
CCCCC(CO)CCC- InChIKey
JSUXZEJWGVYJJG-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Names & identifiers
- Preferred name
- 2-Propyl-1-hexanol
- IUPAC
- 2-propylhexan-1-ol
- English name
- 2-propylhexan-1-ol
- Molecular formula
- C9H20O
- Molecular weight
- 144.25
Names & synonyms
2-Propyl-1-hexanol817-46-91-Hexanol, 2-propyl-EINECS 212-443-9UNII-CF955RW8AFCF955RW8AF2-PROPYLHEXANOL-1RefChem:89310212-443-92-Propylhexan-1-olMFCD216719052-propylhexanol
Show more names
2-n-Propylhexanol-1SCHEMBL1053629SCHEMBL7549718SCHEMBL27498289SCHEMBL28975586JSUXZEJWGVYJJG-UHFFFAOYSA-NDTXSID901002131AKOS015400729
Database identifiers
- CAS
817-46-9- PubChem CID
- 102493
- DTXSID
DTXSID901002131- UNII
- CF955RW8AF
- EC Number
- 212-443-9
- Nikkaji
- J193.207A
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
- 1.492 · 1.4920
- Henry's Law Constant
- 5.8 · 5.8×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 955 RW8AF · CF955RW8AF
- 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
Upstream & downstream products
Downstream products
Suppliers9 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
韶远科技（上海）有限公司4000665055 · [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]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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