Dimethyldiphenylmethane

HCID 13065

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Basic information

CAS: 13540-56-2
Standard SMILES: CC(C)(c1ccccc1)c1ccccc1
InChIKey: MILSYCKGLDDVLM-UHFFFAOYSA-N
Molecular formula: C15H16
Average molar mass: 196.29 g/mol
Monoisotopic mass: 196.12520051

Names & identifiers

Preferred name: Dimethyldiphenylmethane
IUPAC: 2-phenylpropan-2-ylbenzene
English name: 2,2-DIPHENYLPROPANE
Molecular formula: C15H16
Molecular weight: 196.29

Names & synonyms

2,2-DIPHENYLPROPANE778-22-3DIMETHYLDIPHENYLMETHANEPropane, 2,2-diphenyl-DTXSID8047892OV5R1AZU4NDTXCID4027868RefChem:1083721212-292-9propane-2,2-diyldibenzene2-phenylpropan-2-ylbenzeneBenzene, 1,1'-(1-methylethylidene)bis-

Show more names

propane,2,2-diphenyl-2,2-Diphenylpropane,97%2,2-DIPHENYLPROPANE, >=96%(1-Methyl-1-phenylethyl)benzene

MFCD00008794EINECS 212-292-9(1-Methyl-1-phenylethyl)benzene #Q15726113UNII-OV5R1AZU4N1,1'-(2,2-Propanediyl)dibenzene(1-methyl-1-pheny2',2'-Diphenylpropane

Database identifiers

CAS: 13540-56-2、778-22-3
PubChem CID: 13065
DTXSID: DTXSID8047892
ChEMBL: CHEMBL3184005
UNII: OV5R1AZU4N
EC Number: 212-292-9
Nikkaji: J193.168G

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 26 · 26-28 °C (lit.)
Boiling point: 282 °C · 282 °C (lit.)
Density: 0.992 g/mL · 0.992 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.57(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Store at room temperature
form: liquid
Appearance: Colorless to off-white Solid
BRN: 2041894 · 2041894
InChI: 1S/C15H16/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey: MILSYCKGLDDVLM-UHFFFAOYSA-N
SMILES: CC(C)(c1ccccc1)c2ccccc2
CAS DataBase Reference: 778 · 778-22-3(CAS DataBase Reference)
FDA UNII: 5 R1AZU4N · OV5R1AZU4N
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 8 · GHS08
Signal word: Danger
Hazard statements: 372 · H372-H317-H334-H350
Precautionary statements: 501 · P501-P272-P260-P270-P202-P201-P264-P280-P284-P302+P352-P308+P313-P362+P364-P304+P340-P333+P313-P405
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2；Aquatic Acute 1；Aquatic Chronic 1

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
Signal word: Danger
Symbol(GHS): GHS08
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H372-H317-H334-H350
Precautionary statements: P501-P272-P260-P270-P202-P201-P264-P280-P284-P302+P352-P308+P313-P362+P364-P304+P340-P333+P313-P405