Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:08:14 UTC |
---|
Update date | 2019-11-27 17:15:27 UTC |
---|
Primary ID | FDB008753 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | Benzophenone |
---|
Description | Present in grapes. Flavouring agent
Benzophenone is a common photosensitizer in photochemistry. It crosses from the S1 state into the triplet state with nearly 100% yield. The resulting diradical will abstract a hydrogen atom from a suitable hydrogen donor to form a ketyl radical.; Benzophenone is the organic compound with the formula (C6H5)2CO, generally abbreviated Ph2CO. Benzophenone is a widely used building block in organic chemistry, being the parent diarylketone. Benzophenone is found in fruits. |
---|
CAS Number | 119-61-9 |
---|
Structure | |
---|
Synonyms | Synonym | Source |
---|
alpha-Oxodiphenylmethane | ChEBI | alpha-Oxoditane | ChEBI | Benzoylbenzene | ChEBI | Diphenyl ketone | ChEBI | DIPHENYLMETHANONE | ChEBI | PH2CO | ChEBI | a-Oxodiphenylmethane | Generator | Α-oxodiphenylmethane | Generator | a-Oxoditane | Generator | Α-oxoditane | Generator | 1DZP | HMDB | Adjutan 6016 | HMDB | ADK stab 1413 | HMDB | alpha -Oxodiphenylmethane | HMDB | alpha -Oxoditane | HMDB | Benzopheneone | HMDB | BENZOPHENONE (8ci) | HMDB | Benzophenone (diphenyl-ketone) | HMDB | Benzoyl-benzene | HMDB | BZQ | HMDB | Di(phenyl)methanone | HMDB | Diphenyl-methanon | HMDB | Diphenyl-methanone | HMDB | Diphenylketone | HMDB | Diphenylmethanone, 9ci | HMDB | FEMA 2134 | HMDB | Kayacure BP | HMDB | Ketone, diphenyl | HMDB | METHANONE, diphenyl- (9ci) | HMDB | Phenyl ketone | HMDB | α-oxodiphenylmethane | biospider | α-oxoditane | biospider | 1dzp | biospider | A-oxodiphenylmethane | biospider | A-oxoditane | biospider | ADK STAB 1413 | biospider | Alpha-oxodiphenylmethane | biospider | Alpha-oxoditane | biospider | Benzene, benzoyl- | biospider | BENZOPHENONE (8CI) | biospider | Diphenylmethanone | biospider | Diphenylmethanone, 9CI | db_source | Methanone, diphenyl- | biospider | METHANONE, DIPHENYL- (9CI) | biospider | α-oxodiphenylmethane | Generator | α-oxoditane | Generator |
|
---|
Predicted Properties | |
---|
Chemical Formula | C13H10O |
---|
IUPAC name | diphenylmethanone |
---|
InChI Identifier | InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H |
---|
InChI Key | RWCCWEUUXYIKHB-UHFFFAOYSA-N |
---|
Isomeric SMILES | O=C(C1=CC=CC=C1)C1=CC=CC=C1 |
---|
Average Molecular Weight | 182.2179 |
---|
Monoisotopic Molecular Weight | 182.073164942 |
---|
Classification |
---|
Description | belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. |
---|
Kingdom | Organic compounds |
---|
Super Class | Benzenoids |
---|
Class | Benzene and substituted derivatives |
---|
Sub Class | Benzophenones |
---|
Direct Parent | Benzophenones |
---|
Alternative Parents | |
---|
Substituents | - Benzophenone
- Aryl-phenylketone
- Diphenylmethane
- Aryl ketone
- Benzoyl
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic homomonocyclic compound
|
---|
Molecular Framework | Aromatic homomonocyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
|
Physiological effect | Health effect: |
---|
Disposition | Route of exposure: Source: Biological location: |
---|
Role | Environmental role: Industrial application: |
---|
Physico-Chemical Properties - Experimental |
---|
Physico-Chemical Properties - Experimental | Property | Value | Reference |
---|
Physical state | Not Available | |
---|
Physical Description | Not Available | |
---|
Mass Composition | C 85.69%; H 5.53%; O 8.78% | DFC |
---|
Melting Point | Mp 26° (labile form) | DFC |
---|
Boiling Point | Bp10 157.6° | DFC |
---|
Experimental Water Solubility | 0.137 mg/mL at 25 oC | YALKOWSKY,SH & DANNENFELSER,RM (1992) |
---|
Experimental logP | 3.18 | HANSCH,C ET AL. (1995) |
---|
Experimental pKa | Not Available | |
---|
Isoelectric point | Not Available | |
---|
Charge | Not Available | |
---|
Optical Rotation | Not Available | |
---|
Spectroscopic UV Data | Not Available | |
---|
Density | d184 1.11 | DFC |
---|
Refractive Index | Not Available | |
---|
|
---|
Spectra |
---|
Spectra | |
---|
External Links |
---|
ChemSpider ID | 2991 |
---|
ChEMBL ID | Not Available |
---|
KEGG Compound ID | C06354 |
---|
Pubchem Compound ID | 3102 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | 3034 |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | DB01878 |
---|
HMDB ID | HMDB32049 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | DVQ30-G:DVQ30-G |
---|
EAFUS ID | 306 |
---|
Dr. Duke ID | Not Available |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
HET ID | BZQ |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | Not Available |
---|
GoodScent ID | rw1016331 |
---|
SuperScent ID | 3102 |
---|
Wikipedia ID | Benzophenone |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
Food | Content Range | Average | Reference |
---|
Food | | | Reference |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | Not Available |
---|
Enzymes | Not Available |
---|
Pathways | Not Available |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | Flavor | Citations |
---|
apricot |
- Dunkel, M. et al. SuperScent – a database of flavors and scents. Nucleic Acids Research 2008, doi:10.1093/nar/gkn695
| peach |
- Dunkel, M. et al. SuperScent – a database of flavors and scents. Nucleic Acids Research 2008, doi:10.1093/nar/gkn695
| balsam |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| rose |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| metallic |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| powdery |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| geranium |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
|
|
---|
Files |
---|
MSDS | show |
---|
References |
---|
Synthesis Reference | Not Available |
---|
General Reference | Not Available |
---|
Content Reference | |
---|