Introduction：Basic information about CAS 3522-94-9|2,2,5-TRIMETHYLHEXANE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,2,5-TRIMETHYLHEXANE |
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| CAS Number | 3522-94-9 | Molecular Weight | 128.255 |
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| Density | 0.7±0.1 g/cm3 | Boiling Point | 123.6±7.0 °C at 760 mmHg |
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| Molecular Formula | C9H20 | Melting Point | -116.8ºC |
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| MSDS | / | Flash Point | 19.8±11.7 °C |
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Names
| Name | 2,2,5-trimethylhexane |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.7±0.1 g/cm3 |
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| Boiling Point | 123.6±7.0 °C at 760 mmHg |
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| Melting Point | -116.8ºC |
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| Molecular Formula | C9H20 |
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| Molecular Weight | 128.255 |
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| Flash Point | 19.8±11.7 °C |
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| Exact Mass | 128.156494 |
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| LogP | 4.99 |
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| Vapour Pressure | 16.0±0.1 mmHg at 25°C |
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| Index of Refraction | 1.407 |
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| InChIKey | HHOSMYBYIHNXNO-UHFFFAOYSA-N |
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| SMILES | CC(C)CCC(C)(C)C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MO4630000
- CHEMICAL NAME :
- Hexane, 2,2,5-trimethyl-
- CAS REGISTRY NUMBER :
- 3522-94-9
- BEILSTEIN REFERENCE NO. :
- 1730924
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C9-H20
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 10 gm/kg/4W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- TIHEEC Toxicology and Industrial Health. (Princeton Scientific Pub. Co., POB 2155, Princeton, NJ 08540) V.1- 1985- Volume(issue)/page/year: 1(3),67,1985
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Safety Information
| Risk Phrases | R11:Highly Flammable. |
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| Safety Phrases | S16-S26 |
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| RIDADR | 3295 |
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| RTECS | MO4630000 |
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| HS Code | 2901100000 |
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Customs
| HS Code | 2901100000 |
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| Summary | 2901100000 saturated acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0% |
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Synonyms
| Hexane,2,2,5-trimethyl |
| 2,2,5,6-TETRAMETHYL-4H-1,3-DIOXIN-4-ONE |
| 2,2,5-TRIMETHYLHEXANE |
| 2,2,5-trimethyl-hexane |
| 2,2,5-Trimethylhexan |
| EINECS 222-537-1 |
| Hexane, 2,2,5-trimethyl- |
| MFCD00026525 |
| Hexane,2,5-trimethyl |
| 2,5-Trimethylhexane |
