Basic information
- Standard SMILES
CCCCCCCCC(=O)c1ccccc1- InChIKey
PFUPABFCHVRLLY-UHFFFAOYSA-N- Molecular formula
- C15H22O
- Average molar mass
- 218.33 g/mol
- Monoisotopic mass
- 218.16706532
Overview
Nonanophenone is an aromatic ketone that consists of benzene substituted by a nonanoyl group.
Names & identifiers
- Preferred name
- 1-Phenylnonan-1-one
- IUPAC
- 1-phenylnonan-1-one
- English name
- N-NONANOPHENONE
- Molecular formula
- C15H22O
- Molecular weight
- 218.33
Names & synonyms
1-Phenylnonan-1-oneNonanophenone1-Phenyl-1-nonanoneoctylphenyl ketoneDJ4KL5XS87NONANOYLBENZENEPELARGONOPHENONEPELARGONYLBENZENEEINECS 227-861-7CHEBI:145973DTXSID70208819RefChem:77002
Show more names
NonaphenoneN-NONAPHENONENonanophenone>Nonanophenone,98%n-Nonaphenone,98%Phenyloctyl ketone
DTXCID70131310PFUPABFCHVRLLY-UHFFFAOYSA-N6008-36-2n-Nonanophenonen-Octyl phenyl ketoneoctyl phenyl ketoneMFCD000489651-Nonanone, 1-phenyl-
Database identifiers
- CAS
6008-36-2- PubChem CID
- 80108
- DTXSID
DTXSID70208819- ChEBI
CHEBI:145973- UNII
- DJ4KL5XS87
- EC Number
- 227-861-7
- Nikkaji
- J223.947G
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 180
Experimental & physicochemical properties
SpringerMaterials PropertiesSound absorption
Physicochemical properties
- Melting point
- 14 °C · 14°C
- Boiling point
- 139 · 139-140°C 2mm
- Density
- 0 · 0,94 g/cm3
- refractive index
- 1.5005 · 1.5005-1.5025
- Flash point
- 139 · 139-140°C/2mm
- storage temp.
- Store at room temperature
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- BRN
- 2047454 · 2047454
- InChI
- InChI=1S/C15H22O/c1-2-3-4-5-6-10-13-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
- InChIKey
- PFUPABFCHVRLLY-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC=C1)(=O)CCCCCCCC
- CAS DataBase Reference
- 6008 · 6008-36-2(CAS DataBase Reference)
- FDA UNII
- 4 KL5XS87 · DJ4KL5XS87
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Safety Statements
- 24 · 24/25
- HS Code
- 2914.39 · 2914.39.9000
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, 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
- hs_code
- 2914.39.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
Uses1-Phenyl-1-nonanone is used in the synthesis of novel alkylbenzene sulfonate gemini surfactants.
UsesN-NONANOPHENONE is used in the synthesis of novel alkylbenzene sulfonate gemini surfactants.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers38 total
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Additional notes
DefinitionChEBI: Nonanophenone is an aromatic ketone that consists of benzene substituted by a nonanoyl group.
Related reactions
2 records
Linked notes
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