3-Phenoxybenzaldehyde

Names

[ Name ]:
3-Phenoxybenzaldehyde

[Synonym ]:
3-Phenoxybenzaldehyde
3-Formyldiphenyl Ether
3-Phenoxybenzolcarbaldehyd
Benzaldehyde, 3-phenoxy-
MFCD00003353
EINECS 254-487-1

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
392.4±0.0 °C at 760 mmHg

[ Melting Point ]:
13 °C

[ Molecular Formula ]:
C₁₃H₁₀O₂

[ Molecular Weight ]:
198.22

[ Flash Point ]:
156.1±13.9 °C

[ Exact Mass ]:
198.068085

[ PSA ]:
26.30000

[ LogP ]:
3.38

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.609

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CU7560200

CHEMICAL NAME :: Benzaldehyde, 3-phenoxy-

CAS REGISTRY NUMBER :: 39515-51-0

BEILSTEIN REFERENCE NO. :: 0511662

LAST UPDATED :: 199806

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C13-H10-O2

MOLECULAR WEIGHT :: 198.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533489 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1222 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Skin and Appendages - hair

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533495

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 270 mg/m3/4H

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534417

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1980 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 61(3),6,1996

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 26,954,1978

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 7071 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534418 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 310 ug/m3/24H/17W-C

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 61(3),6,1996 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

DOSE :: 2600 ug/m3/24H

SEX/DURATION :: male 17 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 61(3),6,1996

Safety Information

[ Symbol ]:

GHS06, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H330-H400

[ Precautionary Statements ]:
P260-P273-P284-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
T+:Verytoxic;

[ Risk Phrases ]:
R22;R26

[ Safety Phrases ]:
S23-S24/25-S45-S38-S28

[ RIDADR ]:
UN2810

[ WGK Germany ]:
3

[ RTECS ]:
CU7560200

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
29124900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(3-Phenoxyphenyl)methanol
1-(dichloromethyl)-3-phenoxybenzene
1-(Chloromethyl)-3-phenoxybenzene
Phenol
3-Fluorobenzaldehyde
Diphenyliodonium trifluoromethanesulfonate
3-Hydroxybenzaldehyde
3-Phenoxybenzonitrile
bis(acetato-O)triphenylbismuth(V)
3,6-diphenyl-5,6-dihydro-4H-[1,2]oxazine

DownStream

(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL)ACETICACID
3-(3-PHENOXY-PHENYL)-PROPAN-1-OL
BW A4C
3-Phenoxybenzoic acid
(3-Phenoxyphenyl)methanol
fenpropathrin [ANSI]
3-phenoxyphenylacetic acid
(3-PHENOXYPHENYL)METHYLAMINE HCL
3-phenoxybenzoyl chloride
fenvalerate

Customs

[ HS Code ]: 2912499000

[ Summary ]:
2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles

Identification and structure elucidation of a p-phenoxybenzaldehyde in bamboo shoots by HPLC-ESI/MS/MS and NMR.

J. Agric. Food Chem. 59(21) , 11579-84, (2011)

In this study, a derivative of p-phenoxybenzaldehyde in bamboo shoots was investigated. Bamboo shoots were ground and extracted with water, and an aqueous suspension was purified by SPE using Oasis HL...

Perturbation of rat heart plasma membrane fluidity due to metabolites of permethrin insecticide.

Cardiovasc. Toxicol. 11(3) , 226-34, (2011)

Due to increased global use, acute and chronic exposures to pyrethroid insecticides in humans are of clinical concern. Pyrethroids have a primary mode of action that involves interference with the sod...

Degradation of 3-phenoxybenzoic acid by a Bacillus sp.

PLoS ONE 7(11) , e50456, (2012)

3-Phenoxybenzoic acid (3-PBA) is of great environmental concern with regards to endocrine disrupting activity and widespread occurrence in water and soil, yet little is known about microbial degradati...

3-Phenoxybenzaldehyde
3-Phenoxybenzaldehyde-d5
3-phenoxybenzaldehyde oxime
2-Methyl-3-phenoxybenzaldehyde
4-Fluoro-3-phenoxybenzaldehyde
4-Methoxy-3-phenoxybenzaldehyde
N-(2,4-Dimethoxyphenyl)-N-propylmethanesulfonamide
2-(Dimethoxymethyl)-1H-phenanthro[9,10-d]imidazole
3-(2-Methylbut-3-yn-2-yl)phenol
4,5,6,7-Tetrafluoro-3-(2S)-2-piperazinyl-1H-indole
N-Methyl-N-[4-(3-pyridinyl)-3-buten-1-yl]benzamide
5-Bromo-4-ethoxy-6-methyl-2-(methylthio)pyrimidine
2-Hydroxy-4,5-dimethyl-3-nitrobenzenesulfonic acid
4-Chloro-3,5-dimethyl-D-phenylalanine methyl ester
Benzenemethanol, 2,3,4-trimethoxy-I+/--propyl-, (I+/-R)-
3,5-Bis(4-methoxyphenyl)-4-methyl-2(3H)-thiazolone

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