Introduction：Basic information about CAS 94-28-0|UNII:GE16EV367Q, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | UNII:GE16EV367Q |
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| CAS Number | 94-28-0 | Molecular Weight | 402.565 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 463.5±25.0 °C at 760 mmHg |
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| Molecular Formula | C22H42O6 | Melting Point | −50 °C(lit.) |
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| MSDS | / | Flash Point | 194.6±23.2 °C |
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Names
| Name | 2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 463.5±25.0 °C at 760 mmHg |
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| Melting Point | −50 °C(lit.) |
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| Molecular Formula | C22H42O6 |
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| Molecular Weight | 402.565 |
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| Flash Point | 194.6±23.2 °C |
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| Exact Mass | 402.298126 |
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| PSA | 71.06000 |
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| LogP | 5.57 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.451 |
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| InChIKey | FRQDZJMEHSJOPU-UHFFFAOYSA-N |
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| SMILES | CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MO7725000
- CHEMICAL NAME :
- Hexanoic acid, 2-ethyl-, diester with triethylene glycol
- CAS REGISTRY NUMBER :
- 94-28-0
- BEILSTEIN REFERENCE NO. :
- 1806809
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 10
- MOLECULAR FORMULA :
- C22-H42-O6
- MOLECULAR WEIGHT :
- 402.64
- WISWESSER LINE NOTATION :
- 4Y2&VO2O2O2OVY4&2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Open irritation test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 7/21/1971 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 31 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Kidney, Ureter, Bladder - other changes
- REFERENCE :
- JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 23,259,1941
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >3200 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: OTS0533587
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 14100 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 7/21/1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 21 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Kidney, Ureter, Bladder - other changes
- REFERENCE :
- JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 23,259,1941
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- >20 mL/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: OTS0533587 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1871 No. of Facilities: 18 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 104 (estimated)
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Safety Information
| Hazard Codes | Xn,Xi |
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| Risk Phrases | R36/37/38:Irritating to eyes, respiratory system and skin . R22:Harmful if swallowed. |
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| Safety Phrases | 24/25 |
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| WGK Germany | - |
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| RTECS | MO7725000 |
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| HS Code | 2918990090 |
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Customs
| HS Code | 2918990090 |
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| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| Hexanoic acid, 2-ethyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester |
| Flexol 3GO |
| 1,2-Ethanediylbis(oxy-2,1-ethanediyl) bis(2-ethylhexanoate) |
| Ethane-1,2-diylbis(oxyethane-2,1-diyl) bis(2-ethylhexanoate) |
| EINECS 202-319-2 |
| triethylene glycol di-2-ethylhexanoate |
| MFCD00072285 |
| 2-ethyl-hexanoic acid |
| UNII:GE16EV367Q |
| Flexol plasticizer 3GO |
