Introduction：Basic information about CAS 115-84-4|1,3-Propanediol,2-butyl-2-ethyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,3-Propanediol,2-butyl-2-ethyl- |
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| CAS Number | 115-84-4 | Molecular Weight | 160.25400 |
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| Density | 0,93 g/cm3 | Boiling Point | 178 °C50 mm Hg(lit.) |
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| Molecular Formula | C9H20O2 | Melting Point | 41-44 °C(lit.) |
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| MSDS | / | Flash Point | >230 °F |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 2-Butyl-2-ethyl-1,3-propanediol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0,93 g/cm3 |
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| Boiling Point | 178 °C50 mm Hg(lit.) |
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| Melting Point | 41-44 °C(lit.) |
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| Molecular Formula | C9H20O2 |
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| Molecular Weight | 160.25400 |
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| Flash Point | >230 °F |
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| Exact Mass | 160.14600 |
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| PSA | 40.46000 |
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| LogP | 1.55760 |
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| Vapour Pressure | 0.00159mmHg at 25°C |
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| Index of Refraction | 1.455 |
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| InChIKey | DSKYSDCYIODJPC-UHFFFAOYSA-N |
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| SMILES | CCCCC(CC)(CO)CO |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TY3605000
- CHEMICAL NAME :
- 1,3-Propanediol, 2-butyl-2-ethyl-
- CAS REGISTRY NUMBER :
- 115-84-4
- BEILSTEIN REFERENCE NO. :
- 1737392
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C9-H20-O2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5040 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,731,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 3810 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,731,1969
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H319 |
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| Precautionary Statements | P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S37/39 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 1 |
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| RTECS | TY3605000 |
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| HS Code | 2905399090 |
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Customs
| HS Code | 2905399090 |
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| Summary | 2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0% |
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Articles2
More Articles
| Characterization of polyesters prepared from three different phthalic acid isomers by CID-ESI-FT-ICR and PSD-MALDI-TOF mass spectrometry. Anal. Chem. 74(16) , 4250-8, (2002) Polyesters prepared from the same diol, 2-butyl-2-ethyl-1,3-propanediol, but different phthalic acid isomers, phthalic, isophthalic, and terephthalic acid, were characterized by collision-induced diss... | |
| Structural characterization and thermal properties of poly (ethylene terephthalate) copolymers containing 2-butyl-2-ethyl-1, 3-propanediol. Kint DPR, et al. J. Appl. Polym. Sci. 86(5) , 1077-1086, (2002)
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Synonyms
| 2-Ethyl-2-(hydroxymethyl)-1-hexanol |
| 3,3-Bis(hydroxymethyl)heptane |
| EINECS 204-111-7 |
| 2-BUTYL-2-ETHYL-1,3-PROPANEDIOL |
| MFCD00004697 |
| 2-butyl-2-ethylpropane-1,3-diol |
