Oxybenzone

C₁₄H₁₂O₃CAS 131-57-7228.25 g/mol

Open in Covalent MOL file

Ether Ketone Phenol

Properties

Molecular formula: C₁₄H₁₂O₃
Molar mass: 228.25 g/mol
Exact mass: 228.0786 Da
Density: 1.32 g/mL (at 25 °C)
Melting point: 66 °C
Boiling point: 155 °C
Flash point: 100 °C (closed cup)
Water solubility: 3.7 mg/L (25 °C)
logP: 2.63Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation70.2% of notifiers
H319 Causes serious eye irritation70.2% of notifiers
H335 May cause respiratory irritation69.3% of notifiers
H400 Very toxic to aquatic life14.3% of notifiers
H411 Toxic to aquatic life with long lasting effects24.3% of notifiers

Aggregated from 1,945 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

131-57-7

SMILES

COc1ccc(C(=O)c2ccccc2)c(O)c1

InChIKey

DXGLGDHPHMLXJC-UHFFFAOYSA-N

InChI

InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

42 names · show all

Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-
Benzophenone, 2-hydroxy-4-methoxy-
(2-Hydroxy-4-methoxyphenyl)phenylmethanone
Cyasorb UV 9
Cyasorb UV 9 light absorber
Spectra-sorb UV 9
Uvinul M 40
UF 3
4-Methoxy-2-hydroxybenzophenone
MOB
UV 9
Advastab 45
Benzophenone 3
Sunscreen UV 15
Chimassorb 90
Oxybenzon
Anuvex
Uvistat 24
Uvinul 9
Syntase 62
Ongrostab HMB
2-Benzoyl-5-methoxyphenol
Sumisorb 110
Aduvex 24
ASL 24
Escalol 567
Seesorb 101
2-Hydroxy-4-methoxybenzophenone
Viosorb 110
Uvinul 3040
Neo heliopan BB
Onzone
Uvasorb MET/C
NSC 7778
Tinosorb B 3
Jeescreen benzophenone 3
Eusolex 4360
Kemisorb 11
Uvinul MC 40
Sunscreen 567
BP 3
Speedblock UV 9

Work with Oxybenzone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′-Dihydroxy-4,4′-dimethoxybenzophenone131-54-477 % similar Dioxybenzone131-53-376 % similar Mexenone1641-17-475 % similar 4-Benzoyl-3-hydroxyphenyl methacrylate2035-72-562 % similar 2,4-Dihydroxybenzophenone131-56-662 % similar 4-Methoxysalicylic acid2237-36-762 % similar 4-Allyloxy-2-hydroxybenzophenone2549-87-361 % similar Octabenzone1843-05-660 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzyl salicylate118-58-1 2-(4-Phenylphenoxy)acetic acid13333-86-3 2-(Benzyloxy)benzoic acid14389-86-7 4-(Benzyloxy)benzoic acid1486-51-7 Desmethoxyyangonin15345-89-8 3'-Methoxy-biphenyl-3-carboxylic acid168618-45-9 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-1 2-Phenoxyphenylacetic acid25563-02-4

Elsewhere

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