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| CAS No.: | 538-43-2 |
|---|---|
| Name: | 3-Phenoxy-1,2-propanediol |
| Molecular Structure: | |
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| Formula: | C9H12 O3 |
| Molecular Weight: | 168.192 |
| Synonyms: | 1,2-Dihydroxy-3-phenoxypropane;1-Phenoxy-2,3-propanediol; 1-Phenoxymethyl-1,2-ethanediol; 2,3-Dihydroxypropylphenyl ether; 3-Phenoxy-1,2-propanediol; Antodyne; Glycerol a-monophenyl ether; Glycerol a-phenyl ether; NSC 406489; Phenolglyceryl ether; Phenylglyceryl ether; a-Phenyl monoglyceryl ether |
| EINECS: | 208-692-8 |
| Density: | 1.185g/cm3 |
| Melting Point: | 54-57 ºC |
| Boiling Point: | 315 ºC |
| Flash Point: | 156.4°C |
| Appearance: | great |
| Safety: | Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. An eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 49.69000 |
| LogP: | 0.41860 |
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Chemistry
Molecular Formula: C9H12O3
Molar mass: 168.19 g/mol
EINECS: 208-692-8
Density: 1.185 g/cm3
Flash Point: 156.4 °C
Melting point: 54-57 °C
Index of Refraction: 1.55
Boiling Point: 315 °C at 760 mmHg
Vapour Pressure: 0.00019 mmHg at 25°C
Appearance: White crystalline powder
Solubility: Soluble in water, alcohol
Product categories: Alcohols;Propanes/propenes;Monomers;Polymer Science
Structure of 3-Phenoxy-1,2-propanediol (CAS NO.538-43-2):
XLogP3-AA: 0.7
H-Bond Donor: 2
H-Bond Acceptor: 3
IUPAC Name: 3-phenoxypropane-1,2-diol
Canonical SMILES: C1=CC=C(C=C1)OCC(CO)O
InChI: InChI=1S/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2
InChIKey: FNQIYTUXOKTMDM-UHFFFAOYSA-N
Uses
3-Phenoxy-1,2-propanediol (CAS NO.538-43-2) has been used for organic synthesis intermediate.
Production
3-Phenoxy-1,2-propanediol (CAS NO.538-43-2) can be obtained from the reaction of Phenol and 3 - Chloro-1,2 - propanediol .
Toxicity Data With Reference
| 1. | eye-rbt 115 mg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 2 (1950),574. | ||
| 2. | orl-rat LD:>500 mg/kg | NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),16. | ||
| 3. | orl-mus LD50:2650 mg/kg | FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. 8 (1949),477. | ||
| 4. | ipr-mus LD50:1240 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 93 (1948),470. | ||
| 5. | scu-mus LD50:920 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 15 (1965),1355. | ||
| 6. | orl-uns LD50:>5 g/kg | GISAAA Gigiena i Sanitariya. 39 (4)(1974),86. |
Carcinogenicity of 3-Phenoxy-1,2-propanediol (CAS NO.538-43-2) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. And its toxicological properties have not been fully investigated.
Safety Profile
Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. An eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
Specification
3-Phenoxy-1,2-propanediol ,its cas register number is 538-43-2.It also can be called 3-Popa ; Phenol glycerol ether ; 3-Phenoxypropane-1,2-diol and 1,2-Propanediol, 3-phenoxy- .It is hazardous,so the first aid measures and others should be known. Such as: When on the skin: first,should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly,Get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.
In addition, 3-Phenoxy-1,2-propanediol (CAS NO.538-43-2) is not compatible with strong oxidizing agents, strong reducing agents, strong acids, strong bases, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: carbon dioxide, carbon monoxide.