CAS 101-81-5PubChem CID 7580
Diphenylmethane
- IUPAC name
- benzylbenzene
- Molecular formula
- C13H12
- Molecular weight
- 168.23 g/mol
- Exact mass
- 168.093900383 Da
- XLogP3
- 4.1
- Topological polar surface area
- 0.0 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 0
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
DitanDitaneBenzene, 1,1'-methylenebis-Diphenyl methaneMethane, diphenyl-1,1'-Dimethylenebis(benzene)Benzene, (phenylmethyl)-1,1'-METHYLENEBISBENZENE
16 more reported names
AI3-28021-XK3E387I0BCAI3-00748NSC-4708CHEBI:38884RefChem:57702,4-dibromo-6-((2,3-dibromo-4,5-dihydroxyphenyl)methyl)benzene-1,3,5-triol202-978-6Benzene, benzyl-1,1'-methylenedibenzene(phenylmethyl)benzeneDiphenylmethanNSC 4708alpha-phenyltolueneMethadone Impurity 27Toluene, .alpha.-phenyl-
External database identifiers
- ChEBI:CHEBI:38884
- ChEMBL:CHEMBL1796022
- EPA DTXSID:DTXSID1041891
- PubMed:23075119
- PubMed:23019478
- PubMed:22938223
- PubMed:22931828
- PubMed:22930203
- PubMed:22905457
- PubMed:22878944
- PubMed:22849534
- PubMed:22779312
- PubMed:22764609
- PubMed:22749868
- PubMed:22743058
Evidence from additional scientific databases
EMBL-EBI ChEBI
Exact identifier matchCHEBI:38884
diphenylmethane
A diarylmethane that is methane substituted by two phenyl groups.
- Formula
- C13H12
- Average mass
- 168.239 g/mol
- Monoisotopic mass
- 168.09390 Da
- Formal charge
- 0
Additional curated names
1,1'-methylenedibenzene1,1'-dimethylenebis(benzene)1,1'-methylenebisbenzenebenzylbenzeneDiphenylmethandiphenylmethaneditan(phenylmethyl)benzenealpha-phenyltoluene
Cross-references from this source
- CAS: 101-81-5 — NIST Chemistry WebBook
- CAS: 101-81-5 — ChemIDplus
- REGISTRY_NUMBER: 1904982 — Reaxys
- REGISTRY_NUMBER: 27805 — Gmelin
- MANUAL_X_REF: Diphenylmethane — Wikipedia
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2020-07-10. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Exact identifier match7580
Attributed physical-property, hazard, environmental and use annotations.
- Autoignition Temperature: 905 °F (485 °C) Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 264.5 °C Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 264.5 °C @760 [mm Hg] Source: PAC Chemical Database, U.S. Department of Energy
- Color/Form: Orthorhombic needles Source: Hazardous Substances Data Bank (HSDB)
- Color/Form: Long, colorless needles Source: Hazardous Substances Data Bank (HSDB)
- Color/Form: Liquid Source: Hazardous Substances Data Bank (HSDB)
- Density: 1.3421 at 10 °C/4 °C (solid); 1.0008 at 26 °C/4 °C (liquid) Source: Hazardous Substances Data Bank (HSDB)
- Density: 1.008 @25 °C Source: PAC Chemical Database, U.S. Department of Energy
- Flash Point: 130 °C Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Flash Point: 266 °F (130 °C) (CLOSED CUP) Source: Hazardous Substances Data Bank (HSDB)
- LogP: log Kow = 4.14 Source: Hazardous Substances Data Bank (HSDB)
- Melting Point: 25.4 °C Source: Hazardous Substances Data Bank (HSDB)
- Odor: Odor of oranges Source: Hazardous Substances Data Bank (HSDB)
- Odor: Harsh herbaceous odor reminiscent of geranium leaves Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Colorless solid; mp = 26.5 deg C; [Hawley] Liquid; [MSDSonline] Forms needles with a harsh geranium-like odor; [Ullmann] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Refractive Index: Index of refraction: 1.57683 at 20 °C/D Source: Hazardous Substances Data Bank (HSDB)
- Solubility: In water, 14.1 mg/L at 25 °C Source: Hazardous Substances Data Bank (HSDB)
- Solubility: In water, 14.5 mg/L Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Freely soluble in alcohol, ether, chloroform, hexane, benzene; insoluble in liquid ammonia Source: Hazardous Substances Data Bank (HSDB)
- Solubility: >10% in both ethyl ether, ethanol and chloroform. Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: 0.00821 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Vapor Pressure: Vapor pressure = 1 mm Hg at 76 °C, 10 mm Hg at 122.8 °C, 40 mm Hg at 157.8 °C, 100 mm Hg at 186.3 °C, 400 mm Hg at 237.5 °C Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: 0.00821 mm Hg at 25 °C Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: 1 [mm Hg] @76 °C Source: PAC Chemical Database, U.S. Department of Energy
- Note: This chemical does not meet GHS hazard criteria for 2.2% (37 of 1665) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H400 (93.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (95.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P273, P391, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1665 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 37 of 1665 reports by companies.; There are 10 notifications provided by 1628 of 1665 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- NFPA Health Rating: 1 - Materials that, under emergency conditions, can cause significant irritation. Source: Hazardous Substances Data Bank (HSDB)
- NFPA Fire Rating: 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur. Source: Hazardous Substances Data Bank (HSDB)
- NFPA Instability Rating: 0 - Materials that in themselves are normally stable, even under fire conditions. Source: Hazardous Substances Data Bank (HSDB)
- Environmental Bioconcentration: Using catfish which were exposed over an 8-week period to 1,1'-methylenebisbenzene concentrations of 0.01 mg/L and 0.1 mg/L, 1,1'-methylenebisbenzene BCF values were measured that ranged from 452 to 1190(1). According to a classification scheme(3), this BCF range suggests the potential for bioconcentration in aquatic organisms is high to very high(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 9160(SRC), determined from a structure estimation method(2), indicates that 1,1'-methylenebisbenzene is expected to be immobile in soil(SRC). Volatilization of 1,1'-methylenebisbenzene from moist soil surfaces may be an important fate process(SRC) given an estimated Henry's Law constant of 1.3X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 8.61X10-3 mm Hg(3), and water solubility, 14.1 mg/L(4). However, adsorption to soil is expected to attenuate volatilization(SRC). Biodegradation is expected to be an important fate process in soil. 1,1'-Methylenebisbenzene has been shown to biodegrade readily in river die-away tests(5) and in soil inoculum studies following acclimation(6). A 0% of theoretical BOD using activated sludge in a 2-week Japanese MITI test(7) suggests that biodegradation is not an important environmental fate process in soil(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 9160(SRC), determined from a structure estimation method(2), indicates that 1,1'-methylenebisbenzene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.3X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 8.61X10-3 mm Hg(4), and water solubility, 14.1 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 13 hours and 8 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 116 days if adsorption is considered(6). According to a classification scheme(7), a measured BCF range of 452 to 1190 in catfish(8), suggests bioconcentration in aquatic organisms is high to very high(SRC). Biodegradation is expected to be an important fate process in water. 1,1'-Methylenebisbenzene has been shown to biodegrade readily in river die-away tests(9) and in soil ino Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,1'-methylenebisbenzene, which has a vapor pressure of 8.21X10-3 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. However, monitoring data indicates that 1,1'-methylenebisbenzene is found on particulate matter in the ambient atmosphere(3); the source of atmospheric particulate matter containing 1,1'-methylenebisbenzene may be fly ash from municipal incinerators(4,5). Vapor-phase 1,1'-methylenebisbenzene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 1.5 days(SRC), calculated from its rate constant of 1.1X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(6). Particulate-phase 1,1'-methylenebisbenzene may be removed from the air by wet and dry deposition(SRC). 1,1'-Methylenebisbenzene has a UV absorption band that extends beyond 290 nm(7), therefore, it may be susceptible to direct photolysis by sunlight(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Consumer Uses: Heat transferring agent Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Intermediate Source: EPA Chemical Data Reporting (CDR)
- Sources/Uses: Used for organic synthesis; in dyes; in fragrances, flavor compounds, and perfumery; in solvents for cellulose lacquers; in the manufacture of hexachlorophene, benzophenone, and pharmaceuticals; [HSDB] Used in fragrances, dyes, polyesters, and jet fuels; [Ullmann] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: Diphenylmethane is used in the fragrance industry both as a fixative and in scenting soaps. It can serve as a synergist for pyrethrin in pesticides and insecticides. Diphenylmethane is recommended as a plasticizer to improve the dyeing properties, as a solvent for dyes, and as a dye carrier for printing with disperse dyes. The addition of diphenylmethane to saturated, linear polyesters improves their thermal stability, and its addition to jet fuels increases their stability and lubricating properties. Source: Hazardous Substances Data Bank (HSDB)
- Uses: Organic synthesis Source: Hazardous Substances Data Bank (HSDB)
- Uses: As a component of solvents for cellulose lacquers. Source: Hazardous Substances Data Bank (HSDB)
- Uses: In the manufacturing of hexachlorophene. Source: Hazardous Substances Data Bank (HSDB)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.