14-Heptacosanone
Basic information
- CAS
542-50-7- Standard SMILES
CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC- InChIKey
VCZMOZVQLARCOE-UHFFFAOYSA-N- Molecular formula
- C27H54O
- Average molar mass
- 394.7 g/mol
- Monoisotopic mass
- 394.41746634
Overview
heptacosan-14-one has been reported in Styrax officinalis with data available.
Names & identifiers
- Preferred name
- 14-Heptacosanone
- IUPAC
- heptacosan-14-one
- English name
- 14-Heptacosanone
- Molecular formula
- C27H54O
- Molecular weight
- 394.72
Names & synonyms
14-HEPTACOSANONEHeptacosan-14-oneMyristoneUNII-FQ5VC928NNFQ5VC928NNMYRISTONEINECS 208-815-5NSC-15184TRIDECYL KETONEDTXSID70202554NSC 15184RefChem:78629
Show more names
myristic ketone14-Heptacosanone>14-Heptacosanone,98%14-HEPTACOSANONE 95%
DTXCID00125045208-815-5VCZMOZVQLARCOE-UHFFFAOYSA-N542-50-7Ditridecyl ketoneC27H54ODI-n-TRIDECYL KETONEMFCD00026598
Database identifiers
- CAS
542-50-7- PubChem CID
- 10955
- DTXSID
DTXSID70202554- UNII
- FQ5VC928NN
- EC Number
- 208-815-5
- Nikkaji
- J150.280H
Properties
Computed structural properties
- XLogP
- 12.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 24
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 76 · 76-78°C
- Boiling point
- 443.86 °C · 443.86°C (rough estimate)
- Density
- 0.8686 · 0.8686 (rough estimate)
- refractive index
- 1.4758 · 1.4758 (estimate)
- storage temp.
- Room Temperature
- solubility
- Chloroform (Slightly)
- form
- Solid
- color
- White to Off-White
- BRN
- 1796794 · 1796794
- CAS DataBase Reference
- 542 · 542-50-7(CAS DataBase Reference)
- FDA UNII
- 5 VC928NN · FQ5VC928NN
- Hazard statements
- 413 · H413
- HS Code
- 2914.19 · 2914.19.0000
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
This chemical does not meet GHS hazard criteria for 36.1% (22 of 61) of reports.
H413 (63.9%): 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 61 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (63.9%)
Safety data
- hs_code
- 2914.19.0000
- Hazard statements
- H413
Chemistry & industry
Applications
Uses14-Heptacosanone is found in Bulgarian oriental tobacco. It is also isolated from a petroleum ether extract of Styrax officinalis and is used as a growth additive for growing tetragonal prismatic mercuric iodide crystals.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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