ChemicalBook--->CAS DataBase List--->39515-51-0

39515-51-0

39515-51-0 Structure

39515-51-0 Structure
IdentificationMore
[Name]

3-Phenoxy-benzaldehyde
[CAS]

39515-51-0
[Synonyms]

3-FORMYLDIPHENYL ETHER
3-PHENOXYBENZALDEHYDE
AKOS BBS-00003181
M-PHENOXY BENZALDEHYDE
3-phenoxy-benzaldehyd
Benzaldehyde,3-phenoxy-
m-(phenyloxy)benzaldehyde
m-Phenoxybenzaldehyde 3-Phenoxybenzaldehyde
3-Phenoxybenzaldehyde,97%
(1,1'-Oxybisbebzene)-3-carbaldehyde
[EINECS(EC#)]

254-487-1
[Molecular Formula]

C13H10O2
[MDL Number]

MFCD00003353
[Molecular Weight]

198.22
[MOL File]

39515-51-0.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOW TO AMBER LIQUID
[Melting point ]

13 °C
[Boiling point ]

169-169.5 °C11 mm Hg(lit.)
[density ]

1.147 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.595(lit.)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform, Dichloromethane (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Colourless to Pale Yellow
[Sensitive ]

Air Sensitive
[BRN ]

511662
[InChI]

InChI=1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H
[InChIKey]

MRLGCTNJRREZHZ-UHFFFAOYSA-N
[SMILES]

C(=O)C1=CC=CC(OC2=CC=CC=C2)=C1
[CAS DataBase Reference]

39515-51-0(CAS DataBase Reference)
[EPA Substance Registry System]

39515-51-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H302-H410
[Precautionary statements ]

P273-P301+P312+P330
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R26:Very Toxic by inhalation.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
[RIDADR ]

UN2810 - class 6.1 - PG 3 - EHS - Toxic, liquids, organic, n.o.s., HI: all
[WGK Germany ]

3
[RTECS ]

CU7560200
[TSCA ]

Yes
[REACH Registrations]

Inactive
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29124900
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
[Toxicity]

LD ipr-mus: >500 mg/kg JAFCAU26,954,78
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitric acid-->Chlorine-->Carbon tetrachloride-->Copper(I) chloride-->Benzyl chloride-->Hexamethylenetetramine-->Bromobenzene-->Diphenyl ether-->Sodium chlorate-->AIBN-->m-Cresol-->Benzyl alcohol-->Cobalt chloride-->Benzal chloride-->3-Phenoxytoluene-->3-Bromobenzaldehyde-->3-Phenoxybenzoic acid-->N-Vinylacetamide 97
[Preparation Products]

Fenvalerate-->3-Phenoxybenzyl alcohol-->Deltamethrin-->Fenpropathrin-->Cypermethrin-->λ-Cyhalothrin-->Esfenvalerate-->Cycloprothrin-->3-Phenoxybenzaldehyde cyanohydrin-->VALERATE-->alpha-Cypermethrin-->brofluthrinate-->3-(4-Bromophenoxy)Benzaldehyde
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Phenoxy-benzaldehyde(39515-51-0).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR YELLOW TO AMBER LIQUID
[Uses]

Deltamethrin intermediate.
[Preparation]

Synthesis of 3-Phenoxybenzaldehyde: 3-phenoxybenzoic acid is generated by catalytic oxidation of 3-phenoxytoluene, followed by electrolytic reduction to obtain Phenoxybenzyl alcohol , and then selective oxidation with sodium hypochlorite to obtain 3-Phenoxybenzaldehyde.
[Production Methods]

3-Phenoxybenzaldehyde is prepared by adding, at a relatively low temperature, a mixture of a 3-phenoxybenzyl halide and a 3-phenoxybenzal halide to a mixture of hexamethylenetetramine, acetic acid and water, the amounts of the water and acid bearing certain relationships to the amount of the mixture of halides, then heating the resulting mixture to a specified temperature level and maintaining it at that level for a specified period of time.
https://patents.google.com/patent/US4229380A/en
[General Description]

Enantioselective autoinduction during asymmetric hydrocyanation of 3-phenoxybenzaldehyde catalyzed by cyclo[(R)-phenylalanyl-(R)-histidyl] has been investigated. It undergoes hydrogenation catalyzed by Au/Pt bimetallic core/shell nanoparticles to yield 3-phenoxyphenyl methanol.
[Safety Profile]

Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
[Degradation]

3-Phenoxybenzoic acid(3-PBA) and 3-phenoxybenzaldehyde are the most common intermediates in the degradation pathways of Type Il pyrethroids by bacteria, except the cyfluthrin degradation in Brevibacterium aureum DG-12, the beta-cyfluthrin degradation in Pseudomonas stutzeri S1, and the fenpropathrin degradation in Clostridium sp. ZP3(Chen et al.2013a; Saikia et al.2005;Zhang et al.2011b).
Spectrum DetailBack Directory
[Spectrum Detail]

3-Phenoxy-benzaldehyde(39515-51-0)MS
3-Phenoxy-benzaldehyde(39515-51-0)1HNMR
3-Phenoxy-benzaldehyde(39515-51-0)13CNMR
3-Phenoxy-benzaldehyde(39515-51-0)IR1
3-Phenoxy-benzaldehyde(39515-51-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Phenoxybenzaldehyde, 97%(39515-51-0)
[Alfa Aesar]

3-Phenoxybenzaldehyde, 98%(39515-51-0)
[Sigma Aldrich]

39515-51-0(sigmaaldrich)
[TCI AMERICA]

3-Phenoxybenzaldehyde,>95.0%(GC)(39515-51-0)
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