1-Phenyloctadecan-1-one
Basic information
- CAS
6786-36-3- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)c1ccccc1- InChIKey
DBLXXVQTWJFJFI-UHFFFAOYSA-N- Molecular formula
- C24H40O
- Average molar mass
- 344.6 g/mol
- Monoisotopic mass
- 344.3079159
Names & identifiers
- Preferred name
- 1-Phenyloctadecan-1-one
- IUPAC
- 1-phenyloctadecan-1-one
- English name
- N-Octadecanophenone
- Molecular formula
- C24H40O
- Molecular weight
- 344.57
Names & synonyms
Octadecanophenone1-Phenyloctadecan-1-oneStearophenone1-Phenyl-1-octadecanoneBB4MMD765TEINECS 229-850-2NSC-575871-PHENYLOCTADECANONEDTXSID20218100NSC 57587RefChem:77003DTXCID00140591
Show more names
OctadecanoylbenzeneOctadecanophenone>1-Phenyloctadecan-1-onPhenylheptadecyl ketoneOCTADECANOPHENONE, 99+%
229-850-2DBLXXVQTWJFJFI-UHFFFAOYSA-N6786-36-3n-OctadecanophenoneMFCD000107001-Octadecanone, 1-phenyl-NSC57587Heptadecyl Phenyl Ketone
Database identifiers
- CAS
6786-36-3- PubChem CID
- 81244
- DTXSID
DTXSID20218100- UNII
- BB4MMD765T
- EC Number
- 229-850-2
- Nikkaji
- J208.821E
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 65 · 65-67 °C (lit.)
- Boiling point
- 425 °C · 425 °C (lit.)
- Density
- 0.9085 · 0.9085 (rough estimate)
- refractive index
- 1.638 · 1.6380 (estimate)
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C24H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3
- InChIKey
- DBLXXVQTWJFJFI-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC=C1)(=O)CCCCCCCCCCCCCCCCC
- FDA UNII
- 4 MMD765T · BB4MMD765T
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2914.39.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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