Basic information
- CAS
818-23-5- Standard SMILES
CCCCCCCC(=O)CCCCCCC- InChIKey
PQYGSSYFJIJDFK-UHFFFAOYSA-N- Molecular formula
- C15H30O
- Average molar mass
- 226.4 g/mol
- Monoisotopic mass
- 226.22966558
Overview
8-Pentadecanone has been reported in Solanum lycopersicum, Terminalia chebula, and Zanthoxylum zanthoxyloides with data available.
Names & identifiers
- Preferred name
- 8-Pentadecanone
- IUPAC
- pentadecan-8-one
- English name
- 8-PENTADECANONE
- Molecular formula
- C15H30O
- Molecular weight
- 226.4
Names & synonyms
8-PENTADECANONEPentadecan-8-one818-23-5Diheptyl ketoneQO7H8D8OSBUNII-QO7H8D8OSBNSC 595EINECS 212-450-7AI3-11051BRN 17053354-01-00-03392 (Beilstein Handbook Reference)DTXSID40231371
Show more names
heptylketone8-decapentaone8-Oxopentadecanepentadecane-8-one
NSC-595RefChem:107335DTXCID40153862212-450-7PQYGSSYFJIJDFK-UHFFFAOYSA-NCapryloneHeptyl ketoneDi-n-heptyl ketone
Database identifiers
- CAS
818-23-5- PubChem CID
- 13162
- DTXSID
DTXSID40231371- UNII
- QO7H8D8OSB
- EC Number
- 212-450-7
- Nikkaji
- J49.926I
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 40 · 40-44 °C
- Boiling point
- 178 °C · 178 °C
- Density
- 0.8184 · 0.8184 (estimate)
- refractive index
- 1.4419 · 1.4419 (estimate)
- Flash point
- 110 °C · 110 °C
- storage temp.
- Room Temperature
- solubility
- Chloroform (Sparingly), Methanol (Sparingly)
- form
- Shiny Crystals or Flakes
- color
- White to light yellow
- CAS DataBase Reference
- 818 · 818-23-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 H8D8OSB · QO7H8D8OSB
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- rtecs
- RZ2000000
- hs_code
- 29141990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers46 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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