4-Dodecyloxy-2-hydroxybenzophenone

HCID 76330

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Basic information

CAS: 2985-59-3
Standard SMILES: CCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIKey: ARVUDIQYNJVQIW-UHFFFAOYSA-N
Molecular formula: C25H34O3
Average molar mass: 382.5 g/mol
Monoisotopic mass: 382.25079494

Names & identifiers

Preferred name: 4-Dodecyloxy-2-hydroxybenzophenone
IUPAC: (4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
English name: 4-Dodecyloxy-2-hydroxybenzophenone
Molecular formula: C25H34O3
Molecular weight: 382.54

Names & synonyms

2985-59-34-Dodecyloxy-2-hydroxybenzophenone2-hydroxy-4-dodecyloxybenzophenoneEINECS 221-049-6Methanone, [4-(dodecyloxy)-2-hydroxyphenyl]phenyl-DTXSID6062755Methanone, (4-(dodecyloxy)-2-hydroxyphenyl)phenyl-RefChem:522546DTXCID6038081221-049-64-(DODECYLOXY)-2-HYDROXY BENZOPHENONE(4-(Dodecyloxy)-2-hydroxyphenyl)(phenyl)methanone

Show more names

UV 5382-Hydroxy-4-dodecyclobenzophenone2-Hydroxy-4-Dodecoxy Benzophenone(4-dodecoxy-2-hydroxy-phenyl)-phenyl-methanone[4-(dodecyloxy)-2-hydroxyphenyl]phenyl-methanon(2-hydroxy-4-lauryloxy-phenyl)-phenyl-methanone

(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone[4-(dodecyloxy)-2-hydroxyphenyl](phenyl)methanone2-benzoyl-5-(dodecyloxy)phenolBenzophenone, 4-dodecyloxy-2-hydroxy-2-Hydroxy-4-(dodecyloxy)benzophenoneMFCD00026578SCHEMBL38596SCHEMBL29365734

Database identifiers

CAS: 2985-59-3
PubChem CID: 76330
DTXSID: DTXSID6062755
EC Number: 221-049-6
Nikkaji: J47.620J

Properties

Computed structural properties

XLogP: 9
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 14
Heavy atoms: 28
Formal charge: 0
Complexity: 403

Physicochemical properties

Melting point: 49 · 49-50 °C
Boiling point: 506.3 · 506.3±35.0 °C(Predicted)
Density: 1.029 · 1.029±0.06 g/cm3(Predicted)
pka: 7.58 · 7.58±0.35(Predicted)
CAS DataBase Reference: 2985 · 2985-59-3(CAS DataBase Reference)
EPA Substance Registry System: 4 · 4-Dodecyloxy-2-hydroxybenzophenone (2985-59-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 11.4% (5 of 44) of reports.

Warning

H315 (88.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 5 of 44 reports by companies.；There are 2 notifications provided by 39 of 44 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.

Hazard information

Regulatory InformationChemical: Methanone, [4-(dodecyloxy)-2-hydroxyphenyl]phenyl-

Hazard Classes and CategoriesSkin Irrit. 2 (88.6%)；Eye Irrit. 2 (88.6%)；STOT SE 3 (88.6%)

Regulatory information

Regulatory InformationChemical: Methanone, [4-(dodecyloxy)-2-hydroxyphenyl]phenyl-

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationMethanone, [4-(dodecyloxy)-2-hydroxyphenyl]phenyl-: ACTIVE

Preparation methods

PreparationPreparation by reaction of 1-bromododecane (dodecyl bromide or lauryl bromide) with resbenzophenone in the presence of potassium carbonate in refluxing acetone for 16 h or for 20 h.