Basic information
- CAS
30692-16-1- Standard SMILES
CCCCCCCCC(=O)CCCC- InChIKey
VCTJSLKBPLOIOT-UHFFFAOYSA-N- Molecular formula
- C13H26O
- Average molar mass
- 198.34 g/mol
- Monoisotopic mass
- 198.19836545
Names & identifiers
- Preferred name
- 5-Tridecanone
- IUPAC
- tridecan-5-one
- English name
- 5-TRIDECANONE
- Molecular formula
- C13H26O
- Molecular weight
- 198.34
Names & synonyms
Tridecan-5-one5-Tridecanone30692-16-19NGA9IM4WZEINECS 250-298-3NSC-158430AI3-38183DTXSID00952934NSC 158430Tridecan5onenButyl noctyl ketoneRefChem:537982
Show more names
tridecane-5-one
DTXCID201381001250-298-3MFCD0004896657702-05-3n-BUTYL-n-OCTYL KETONEEINECS 260-910-0NSC158430UNII-9NGA9IM4WZ
Database identifiers
- CAS
30692-16-1、57702-05-3- PubChem CID
- 42549
- DTXSID
DTXSID00952934- UNII
- 9NGA9IM4WZ
- EC Number
- 250-298-3
- Nikkaji
- J102.215F
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 129
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
Physical DescriptionColorless liquid or melt; mp = 16-17 deg C; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 66 · 66-69 °C(Press: 0.3 Torr)
- Density
- 0.825 · 0.825±0.06 g/cm3(Predicted)
- LogP
- 5.053 · 5.053 (est)
- FDA UNII
- 9 NGA9IM4WZ · 9NGA9IM4WZ
- 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.
Hazard information
Hazards SummarySee 2-Undecanone.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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