Basic information
- CAS
5333-48-2- Standard SMILES
CCCCCCCC(CO)CCCCC- InChIKey
DHMRGSATSWRQFT-UHFFFAOYSA-N- Molecular formula
- C14H30O
- Average molar mass
- 214.39 g/mol
- Monoisotopic mass
- 214.22966558
Names & identifiers
- Preferred name
- 2-Pentylnonan-1-ol
- IUPAC
- 2-pentylnonan-1-ol
- English name
- 2-Pentyl-1-nonanol
- Molecular formula
- C14H30O
- Molecular weight
- 214.39
Names & synonyms
2-pentylnonan-1-ol5333-48-22-PENTYL-1-NONANOL1-Nonanol, 2-pentyl-MFCD00083044NSC-2411NSC2411Guerbet tetradecyl alcoholYSQ4QC26MGSCHEMBL1042311SCHEMBL3097995DTXSID00277457
Show more names
2-amylnonan-1-ol
AKOS024334045AB22808
Database identifiers
- CAS
5333-48-2- PubChem CID
- 220120
- DTXSID
DTXSID00277457- UNII
- YSQ4QC26MG
- Nikkaji
- J2.387.606J
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 154 °C · 154 °C
- Density
- 0.8377 g/cm3 · 0.8377 g/cm3(Temp: 21 °C)
- pka
- 15.1 · 15.10±0.10(Predicted)
- InChI
- InChI=1S/C14H30O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h14-15H,3-13H2,1-2H3
- InChIKey
- DHMRGSATSWRQFT-UHFFFAOYSA-N
- SMILES
- C(O)C(CCCCC)CCCCCCC
- 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
Suppliers10 total
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]
湖北昭亿生物科技有限公司13437178871 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
郑州如科生物科技有限公司15981811963 · [email protected]
九江德思光电材料有限公司0792-6976181 18930062683 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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