3-Phenoxy-1,2-propanediol

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Names

[ CAS No. ]:
538-43-2

[ Name ]:
3-Phenoxy-1,2-propanediol

[Synonym ]:
Antodyne
1-phenoxymethyl-1,2-ethanediol
MFCD00004717
3-phenoxy-l,2-propanediol
phenolglycerolether
3-phenoxy-1,2-dihydroxypropane
1-O-Phenylglycerol
Glycerol α-Monophenyl Ether
Phenylglyceryl ether
1,2-Propanediol, 3-phenoxy-
Antodyn
3-Phenoxy-1,2-propanediol
1,2-dihydroxy-3-phenoxypropane
3-phenoxypropane-1,2-diol
u27,462
EINECS 208-692-8
rac-3-phenoxypropane-1,2-diol
phenolglycerylether

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
315.0±0.0 °C at 760 mmHg

[ Melting Point ]:
54-57 °C

[ Molecular Formula ]:
C₉H₁₂O₃

[ Molecular Weight ]:
168.190

[ Flash Point ]:
156.4±22.3 °C

[ Exact Mass ]:
168.078644

[ PSA ]:
49.69000

[ LogP ]:
0.75

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.551

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TZ1050000

CHEMICAL NAME :: 1,2-Propanediol, 3-phenoxy-

CAS REGISTRY NUMBER :: 538-43-2

BEILSTEIN REFERENCE NO. :: 1869155

LAST UPDATED :: 199710

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C9-H12-O3

MOLECULAR WEIGHT :: 168.21

WISWESSER LINE NOTATION :: Q1YQ1OR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 2,574,1950 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/kg

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

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,16,1953

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2650 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 8,477,1949

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1240 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - muscle weakness Lungs, Thorax, or Respiration - other changes

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,470,1948

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 920 mg/kg

TOXIC EFFECTS :: Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic)

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 15,1355,1965

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: >5 gm/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: 39(4),86,1974

Safety Information

[ RTECS ]:
TZ1050000

[ HS Code ]:
2909499000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(Allyloxy)benzene
3-Chloro-1,2-propanediol
Phenol
phenyl glycidyl ether
Glycidol
Sodium benzenolate
Cyclohexanone
Glycerol
4-phenyloxymethyl-[1,3]-dioxolan-2-one
SODIUM 4-CHLOROPHENOLATE

DownStream

(2S)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
(Allyloxy)benzene
1-iodo-3-phenoxy-propan-2-ol
phenyl glycidyl ether
5-(phenoxymethyl)-1,3-oxazolidin-2-one
Acetaldehyde,2-phenoxy-
Propanenitrile,3,3'-[[1-(phenoxymethyl)-1,2-ethanediyl]bis(oxy)]bis- (9CI)
2-(phenoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane
1-phenoxypentan-2-ol
2,2-dimethyl-4-(phenoxymethyl)-1,3-dioxolane

Customs

[ HS Code ]: 2909499000

[ Summary ]:
2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

Related Compounds

(R)-3-phenoxy-1,2-propanediol
2-Methyl-3-phenoxy-1,2-propanediol
3-Phenoxy-1,2-propanediol diacetate
3-Phenoxy-1,2-propanediol 1-acetate
(2R)-3-Phenoxy-1,2-propanediol acetonide
3-phenoxy-1,2,3,4-tetrahydrobenzo[h]quinoline
1-(2-isocyanatophenyl)-1H-pyrazole
4-[(2R)-2-aminopropyl]-3-fluorophenol
1-methyl-4-(methylsulfanyl)-1H-pyrazol-5-ol
6-Bromo-5-chloro-1,3-dihydro-3-[2-(trimethylsilyl)ethyl]-2H-imidazo[4,5-b]pyridin-2-one
1-Methyl-4-(4-pyridinyl)-1h-pyrazole-3-carboxaldehyde
1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8-tricarbonitrile
4,7-Dioxa-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1,3(8),9,16-tetraene
Ethyl 2-cyanocyclobutanecarboxylate
Methyl 6-acetylpyridazine-3-carboxylate
2-(5,6-Diethoxy-1H-indol-1-yl)ethan-1-ol

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