CAS 119-61-9 Benzophenone - Materials / Alfa Chemistry

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Benzophenone

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Catalog Number

ACM119619-2

CAS Number

119-61-9

Product Name

Benzophenone

Structure

Category

3D Printing Materials; Polymerization Reagents

Synonyms

Dipheny ketone

Description

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.

IUPAC Name

Diphenylmethanone

Molecular Weight

182.22

Molecular Formula

C13H10O

Canonical SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

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

Boiling Point

305 °C

Melting Point

47-51 °C

Flash Point

>230 °F

Purity

95%+

Density

1.11 g/mL at 25 °C(lit.)

Solubility

Insoluble in water and glycerol; slightly soluble in propylene glycol; soluble in oils

Appearance

Orange crystals

Application

Benzophenone is mainly used as a photoinitiator molecule in a variety of 3D printing s. It has a high quantum yield that makes it useful in the development of UV curable photopolymers.

Assay

≥99%

Color/Form

Orthorhombic prisms from alcohol (alpha); monoclinic prisms (beta);Rhombic prisms (stable form), monoclinic prisms (labile form), white crystals

Complexity

165

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

204-337-6

Exact Mass

182.073164938

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Form

powder or crystals

Formal Charge

Hazard Class

Heat of Vaporization

23.86 cal/g = 99.83 J/g = 18,191 J/mol

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

ICSC Number

0389;1605

Isotope Atom Count

Log P

2.91760

MDL Number

MFCD00003076

MeSH Entry Terms

benzophenone

Monoisotopic Mass

182.073164938

NSC Number

8077

Odor

Geranium-like odor;Sweet, rose-like odor

Other Experimental

Melting point: 49 °C; Density: 1.0976 at 50 °C/50 °C (alpha-Benzophenone);Melting point: 26 °C; Density: 1.108 at 23 °C/40 °C (beta-Benzopheone);Melting point: 47 °C (gamma-Benzophenone);Crystals from ligroin, mp 143-144 °C. Freely soluble in ether, acetone /Oxime/;Henry's Law constant = 1.94X10-6 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.55X10-12 cu cm/molecule-sec at 25 °C (est)

Packaging

Packaging
1, 10 g in poly bottle

Refractive Index

n20/D 1.5893(lit.)

Rotatable Bond Count

RTECS Number

DI9950000

Stability

Stable. Incompatible with strong oxidizing agents, strong reducing agents. Combustible.

Storage Conditions

Below +30 °C

Topological Polar Surface Area