Introduction:Basic information about CAS 504-63-2|1,3-Propanediol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,3-Propanediol |
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| CAS Number | 504-63-2 | Molecular Weight | 76.094 |
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| Density | 1.052 | Boiling Point | 214.4±0.0 °C at 760 mmHg |
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| Molecular Formula | C3H8O2 | Melting Point | -32 °C |
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| MSDS | ChineseUSA | Flash Point | 79.4±0.0 °C |
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Names
| Name | propane-1,3-diol |
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| Synonym | More Synonyms |
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1,3-Propanediol BiologicalActivity
| Description | 1,3-Propanediol is produced in nature by the fermentation of glycerol in microorganism[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. F. Barbirato, et al. Glycerol fermentation by a new 1,3-propanediol-producing microorganism:Enterobacter agglomerans. Applied Microbiology and Biotechnology volume 43, pages786-793(1995). |
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Chemical & Physical Properties
| Density | 1.052 |
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| Boiling Point | 214.4±0.0 °C at 760 mmHg |
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| Melting Point | -32 °C |
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| Molecular Formula | C3H8O2 |
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| Molecular Weight | 76.094 |
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| Flash Point | 79.4±0.0 °C |
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| Exact Mass | 76.052429 |
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| PSA | 40.46000 |
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| LogP | -1.04 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.434 |
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| InChIKey | YPFDHNVEDLHUCE-UHFFFAOYSA-N |
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| SMILES | OCCCO |
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| Water Solubility | 100 g/L |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TY2010000
- CHEMICAL NAME :
- 1,3-Propanediol
- CAS REGISTRY NUMBER :
- 504-63-2
- BEILSTEIN REFERENCE NO. :
- 0969155
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 12
- MOLECULAR FORMULA :
- C3-H8-O2
- MOLECULAR WEIGHT :
- 76.11
- WISWESSER LINE NOTATION :
- Q3Q
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 10 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4780 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10930 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
MUTATION DATA - TEST SYSTEM :
- Rodent - rat
- DOSE/DURATION :
- 2100 mg/kg/10W (Continuous)
- REFERENCE :
- CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 50,87,1984 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82065 No. of Facilities: 85 (estimated) No. of Industries: 3 No. of Occupations: 5 No. of Employees: 1040 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82065 No. of Facilities: 652 (estimated) No. of Industries: 14 No. of Occupations: 18 No. of Employees: 12083 (estimated) No. of Female Employees: 126 (estimated)
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves |
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| Hazard Codes | Xi |
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| Risk Phrases | 38 |
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| Safety Phrases | S23-S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 1 |
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| RTECS | TY2010000 |
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| HS Code | 29053980 |
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Customs
| HS Code | 2905399001 |
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| Summary | 2905399001 propane-1,3-diol。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:5.5%。general tariff:30.0% |
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Synonyms
| 1,3-Dihydroxypropane |
| Propan-1,3-diol |
| MFCD00002949 |
| 1,3-Propane diol |
| propylene glycol |
| I,3-Propandiol |
| Trimethylene glycol |
| 2-Deoxyglycerol |
| 1,3-Propylene glycol |
| 1,3-Propandeiol |
| 1,3-Propylenediol |
| 1,3-PROPANDIOL |
| Propane-1,3-diol |
| 1,3-Dihydroxypropane,Bio-PDO,PG |
| EINECS 207-997-3 |
| PDO |
| 1,3-Propanediol |
| 1,3-prpanediol |