acetophenone
Chemical compound
Also known as benzoyl methanide · 1-phenylethanone · methylphenylketone · phenylmethylketone · methyl phenyl ketone · phenyl methyl ketone
- Formula
- C₈H₈O
1
- C₈H₈O
- Mass
- 120.058 Da
1
- 120.058 Da
- Melting point
- 19.4°C
1
- , 20°C
3
Sources- 1.Stated in GESTIS database“Acetophenone”Retrieved 2018-07-30
- 2.Stated in Jean-Claude Bradley Open Melting Point Dataset
- 3.Stated in Basic Laboratory and Industrial Chemicals: A CRC Quick Reference Handbook
- 19.4°C
- Boiling point
- 202.1°C
1
- , 202°C
2
Sources- 1.Stated in GESTIS database“Acetophenone”Retrieved 2018-07-30
- 2.Stated in Basic Laboratory and Industrial Chemicals: A CRC Quick Reference Handbook
- 202.1°C
- Density
- 1.0281 g/cm³
1
- , 1.03 g/cm³
1
- 1.0281 g/cm³
- Solubility
- 6.7 gram per kilogram
1
- , 8.2 gram per kilogram
1
- , 11.7 gram per kilogram
1
- +1 more
- 6.7 gram per kilogram
Overview
Chemistry
All data
162 statements · 69% with external sources · numbers in brackets are citations
- Canonical SMILES
- CC(=O)C1=CC=CC=C1
1
- CC(=O)C1=CC=CC=C1
- MCN code
- 2914.39.10
- Safety classification and labelling
- NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response nfpa health: 2 · nfpa fire: 2 · nfpa instability: 0
1
Sources- 1.“Acetophenone, 99%”fscimage.fishersci.com/msds/00002.htmRetrieved 2018-07-30
- Regulation (EC) No. 1272/2008 ghs hazard pictogram: GHS07: exclamation mark · ghs signal word: danger · ghs hazard statement: H302, H319
1
- NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response nfpa health: 2 · nfpa fire: 2 · nfpa instability: 0
- Refractive index
- 1.5372 temperature: 20°C · wavelength: 589 nm
1
- 1.5372 temperature: 20°C · wavelength: 589 nm
- Partition coefficient water/octanol
- 1.63 temperature: 25°C
2
Sources- 1.Stated in CRC Handbook of Chemistry and Physics (97th edition)
- 2.Stated in GESTIS database“Acetophenone”Retrieved 2018-07-30
- 1.63 temperature: 25°C
- Phase point
- critical point temperature: 709.5 K · under pressure: 4.01 MPa · molar volume: 373 cubic centimetre per mole
1
- critical point temperature: 709.5 K · under pressure: 4.01 MPa · molar volume: 373 cubic centimetre per mole
- Surface tension
- 39.04 millinewton per metre temperature: 25°C · under pressure: 1 standard atmosphere
1
- 36.15 millinewton per metre temperature: 50°C · under pressure: 1 standard atmosphere
1
- 33.27 millinewton per metre temperature: 75°C · under pressure: 1 standard atmosphere
1
- 39.04 millinewton per metre temperature: 25°C · under pressure: 1 standard atmosphere
- Electric dipole moment
- 3.02 debye uncertainty corresponds to: 2 sigma
1
- 3.02 debye uncertainty corresponds to: 2 sigma
- Flash point
- 77°C
2
Sources- 1.Stated in CRC Handbook of Chemistry and Physics (97th edition)
- 2.Stated in GESTIS database“Acetophenone”Retrieved 2018-07-30
- 77°C
- Autoignition temperature
- 570°C
1
- 535°C
1
- 570°C
- Vapor pressure
- 0.4 hectopascal temperature: 20°C
1
- 0.049 kilopascal temperature: 25°C
1
- 0.8 hectopascal temperature: 30°C
1
- 2.9 hectopascal temperature: 50°C
1
- 0.4 hectopascal temperature: 20°C
- Lower flammable limit
- 55 gram per cubic metre
1
- 55 gram per cubic metre
- Found in taxon
- Camellia sinensis
2
Sources- 1.Stated in Studies on the Volatile Compounds of Camellia Flowers
- 2.Stated in Volatile Compounds from Flowers
- Opuntia ficus-indica
- Aspalathus linearis
- Paeonia lactiflora
- Daphne odora
- Averrhoa carambola
- Hypericum hyssopifolium
- Elsholtzia ciliata
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- Nepeta racemosa
- Amorphophallus cicatricifer
- Aronia melanocarpa
- Artemisia xanthochroa
1
- Basella alba
- Bellis perennis
1
- Castanopsis cuspidata
1
- Chamaecrista greggii
- watermelon
- Euphorbia cyparissias
- Evernia prunastri
- Gossypium hirsutum
- Helichrysum ambiguum
- Malpighia punicifolia
- Nepeta nepetella
1
- Ophrys sphegodes
- Polygala senega
- Sauromatum venosum
- Scutellaria baicalensis
1
- Strobilanthes auriculatus
- clove
- Tamarix aphylla
- Theobroma cacao
- Trifolium pratense
- Medicago sativa
1
- Vaccinium macrocarpon
- Baccharis
- Acca sellowiana
- Strobilanthes auriculata
- Elsholtzia eriostachya
- Mangifera indica
- Cymbopogon citratus
- Nicotiana tabacum
2
Sources- 1.Stated in Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves
- 2.Stated in Extraction of essential oil from discarded tobacco leaves by solvent extraction and steam distillation, and identification of its chemical composition
- maize
- Malpighia glabra
- Malpighia emarginata
- Chrysocephalum ambiguum
- Matsutake
- Dendrobium officinale
- Camellia sinensis
- Ionization energy
- 9.29 eV
On other databases
58 identifiers linking acetophenone across the web's reference databases
- BNCF Thesaurus ID17618
- CAMEO Chemicals ID7421
- Cannabis Database ID000548
- CAS Registry Number98-86-2
- CCDC Number1100655
- ChEBI ID27632
- ChEMBL IDCHEMBL274467
- ChemSpider ID7132
- CosIng number74153
- CSD RefcodeACETPH
- DrugBank IDDB04619
- DSSTOX compound identifierDTXCID501828
- DSSTox substance IDDTXSID6021828
- EC number202-708-7
- ECHA Substance Infocard ID100.002.462
- Elhuyar ZTH ID133210
- Encyclopedia of China (Third Edition) ID (2026)3C2uZ
- Encyclopedia of China (Third Edition) old ID (2021)156959
- FL number07.004
- Freebase ID/m/0j0t_
- GND ID4141249-7
- Gran Enciclopèdia Catalana IDacetofenona
- Gran Enciclopèdia Catalana ID (former scheme)0074265
- Great Norwegian Encyclopedia IDacetofenon
- Great Russian Encyclopedia portal IDatsetofenon-b7162c
- HCIS ID62
- HSDB ID969
- Human Metabolome Database IDHMDB0033910
- ICSC ID1156
- InChIInChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
- InChIKeyKWOLFJPFCHCOCG-UHFFFAOYSA-N
- J9U entity ID987007547017505171
- JECFA number806
- KEGG IDC07113
- KNApSAcK IDC00002685
- Lex IDacetofenon
- Library of Congress Authorities IDsh2005002607
- MassBank accession IDMSBNK-Fac_Eng_Univ_Tokyo-JP001491
- MeSH descriptor IDC038699
- Microsoft Academic ID (discontinued)2775888733
- NMRShiftDB structure ID10008725
- NSC number7635
- OpenAlex IDC2775888733
- OSHA Occupational Chemical Database ID777
- PDB ligand IDAC0
- PDB structure ID1ZK4
- PesticideInfo chemical IDPRI790
- Probes And Drugs IDPD005958
- PubChem CID7410
- Römpp online IDRD-01-00469
- ScienceDirect topic IDagricultural-and-biological-sciences/acetophenone
- SPLASHsplash10-0a6r-9800000000-5d4a6da80c6c3c5f5fbb
- SureChEMBL ID737
- UM-BBD compound IDc0117
- UniChem compound ID459633
- UNIIRK493WHV10
- Yale LUX IDconcept/24a67816-452e-4104-a467-9a51ffdcf001
- ZVG number22380