Results for:
PubChem ID: 3102

Diphenylmethanone

Mass-Spectra

Compound Details

Synonymous names
BENZOPHENONE
119-61-9
diphenylmethanone
Diphenyl ketone
Methanone, diphenyl-
Benzoylbenzene
Phenyl ketone
Ketone, diphenyl
alpha-Oxoditane
Benzene, benzoyl-
alpha-Oxodiphenylmethane
Diphenylketone
diphenyl-methanone
Kayacure bp
.alpha.-Oxoditane
Adjutan 6016
FEMA No. 2134
.alpha.-Oxodiphenylmethane
Diphenyl-methanon
1dzp
NSC 8077
DTXSID0021961
MFCD00003076
CHEMBL90039
701M4TTV9O
Diphenylmethanone (Benzophenone)
CHEBI:41308
NSC-8077
NCGC00090787-05
DTXCID101961
Caswell No. 081G
CAS-119-61-9
CCRIS 629
HSDB 6809
WLN: RVR
EINECS 204-337-6
EPA Pesticide Chemical Code 000315
BENZOPHENONE (8CI)
phenylketone
UNII-701M4TTV9O
Benzopheneone
Benzophenon
benzophenone-
benzoyl-benzene
a-Oxoditane
AI3-00754
meta-benzophenone
alpha -oxoditane
FEMA 2134
di(phenyl)methanone
a-Oxodiphenylmethane
METHANONE, DIPHENYL- (9CI)
Ph2CO
SPEEDCURE BP
DAROCUR BP
Diphenylmethanone, 9CI
alpha -oxodiphenylmethane
Dimenhydrinate Impurity J
BENZOPHENONE [MI]
BENZOPHENONE [FCC]
UPCMLD-DP071
BENZOPHENONE [FHFI]
BENZOPHENONE [HSDB]
BENZOPHENONE [IARC]
BENZOPHENONE [INCI]
EC 204-337-6
BIDD:PXR0008
SCHEMBL17745
MLS001055400
ADK STAB 1413
BENZOPHENONE [USP-RS]
BENZOPHENONE [WHO-DD]
BIDD:ER0022
Benzophenone (diphenyl-ketone)
99.5%,purified by sublimation
Benzophenone (Diphenylmethanone)
UPCMLD-DP071:001
BDBM22726
Benzophenone, analytical standard
DIPHENHYDRAMINE IMPURITY E
AMY7704
NSC8077
HMS2268A24
BENZOPHENONE [USP IMPURITY]
Benzophenone, >=99%, FCC, FG
HY-Y0546
Tox21_113465
Tox21_202425
Tox21_300058
Benzophenone, ReagentPlus(R), 99%
s4438
STL363250
Benzophenone, for synthesis, 98.0%
AKOS000119029
Tox21_113465_1
BENZOPHENONE (DIPHENYL-KETONE)
DB01878
MCULE-7496069620
Benzophenone, purum, >=99.0% (GC)
Benzophenone, ReagentPlus(R), >=99%
NCGC00090787-01
NCGC00090787-03
NCGC00090787-04
NCGC00090787-06
NCGC00090787-07
NCGC00090787-08
NCGC00254183-01
NCGC00259974-01
BP-21212
SMR000112143
PHENYTOIN IMPURITY A [EP IMPURITY]
Benzophenone, SAJ first grade, >=99.0%
DB-061602
B0083
CS-0015323
NS00010632
Benzophenone, purified by sublimation, >=99%
Benzophenone, Vetec(TM) reagent grade, 98%
EN300-19181
C06354
D72506
DIMENHYDRINATE IMPURITY J [EP IMPURITY]
PHENYTOIN SODIUM IMPURITY A [EP IMPURITY]
Q409482
Melting point standard 47-49C, analytical standard
Q-200691
PHENYTOIN IMPURITY BENZOPHENONE [USP IMPURITY]
F0001-0309
Z104473064
Benzophenone, European Pharmacopoeia (EP) Reference Standard
DIPHENHYDRAMINE HYDROCHLORIDE IMPURITY E [EP IMPURITY]
Mettler-Toledo Calibration substance ME 18870, Benzophenone
PHENYTOIN SODIUM IMPURITY BENZOPHENONE [USP IMPURITY]
Benzophenone, United States Pharmacopeia (USP) Reference Standard
HYDROCODONE HYDROGEN TARTRATE 2.5-HYDRATE IMPURITY H [EP IMPURITY]
Benzophenone, Pharmaceutical Secondary Standard; Certified Reference Material
InChI=1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10
Mettler-Toledo Calibration substance ME 18870, Benzophenone, for the calibration of the thermosystem 900, traceable to primary standards (LGC)
Microorganism:

Yes

IUPAC namediphenylmethanone
SMILESC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InchiInChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
FormulaC13H10O
PubChem ID3102
Molweight182.22
LogP3.4
Atoms14
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids ketones aromatic compounds
CHEBI-ID41308
Supernatural-IDSN0336828

mVOC Specific Details

Boiling Point
DegreeReference
305.9 °C peer reviewed
Volatilization
The Henry's Law constant for benzophenone is estimated as 1.9X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 1.93X10-3 mm Hg(1), and water solubility, 137 mg/L(2). This Henry's Law constant indicates that benzophenone is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 15 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 110 days(SRC). Benzophenone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzophenone is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Yaws CL; Chemical Properties Handbook: Physical, Thermodynamic, Environmental, Transport, Safety, and Health Related Properties for Organic and Inorganic Chemicals. New York, NY: McGraw-Hill p.117 (1999) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed. Boca Raton, FL: CRC Press, p. 939 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Kd for benzophenone was measured to be 2.71 on a red earth soil from Australia with an organic matter content of 1.09%(1), corresponding to a Koc of about 430(SRC). The average Koc value from three soils was measured to be 517(2). According to a classification scheme(3), these Koc values suggest that benzophenone is expected to have moderate to low mobility in soil. Benzophenone was detected (concentration below 0.500 ug/L) in both the treated effluent applied at the top of a 2.4 m long, 32.5 cm diameter soil column and in the drainage collected from the bottom of the column after 23 days(4).
Literature: (1) Briggs GG; J Agric Food Chem 29: 1050-9 (1981) (2) Southworth GR, Keller JL; Water Air Soil Poll 28: 239-48 (1986) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Cordy GE et al; Ground Water Monit Remed 24: 58-69 (2004)
Vapor Pressure
PressureReference
1.93X10-3 mm Hg at 25 deg C (est)Yaws CL; Chemical Properties Handbook: Physical, Thermodynamic, Environmental, Transport, Safety, and Health Related Properties for Organic and Inorganic Chemicals. New York: McGraw-Hill p.117 (1999)
MS-Links
1D-NMR-Links
Massbank-Links
Massbank Spectrum MSBNK-BAFG-CSL2311094917
Massbank Spectrum MSBNK-BAFG-CSL2311094918
Massbank Spectrum MSBNK-BAFG-CSL2311094919
Massbank Spectrum MSBNK-BAFG-CSL2311094920
Massbank Spectrum MSBNK-BAFG-CSL2311094921
Massbank Spectrum MSBNK-BAFG-CSL2311094922
Massbank Spectrum MSBNK-BAFG-CSL2311094923
Massbank Spectrum MSBNK-BAFG-CSL2311094924
Massbank Spectrum MSBNK-BAFG-CSL2311094925
Massbank Spectrum MSBNK-BAFG-CSL2311094926
Massbank Spectrum MSBNK-BAFG-CSL2311094927
Massbank Spectrum MSBNK-BAFG-CSL2311094928
Massbank Spectrum MSBNK-BAFG-CSL2311094929
Massbank Spectrum MSBNK-BAFG-CSL2311094930
Massbank Spectrum MSBNK-BAFG-CSL2311094931
Massbank Spectrum MSBNK-BAFG-CSL2311094932
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001010
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003414
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003533
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003592
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007151
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008354
Massbank Spectrum MSBNK-UFZ-UA001501
Massbank Spectrum MSBNK-UFZ-UA001503

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNAKarami et al. 2017
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno