Introduction：Basic information about CAS 141-31-1|6-Oxohexanoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 6-Oxohexanoic acid |
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| CAS Number | 141-31-1 | Molecular Weight | 130.142 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 263.7±23.0 °C at 760 mmHg |
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| Molecular Formula | C6H10O3 | Melting Point | -3.5ºC |
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| MSDS | / | Flash Point | 127.5±19.1 °C |
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Names
| Name | 2-Hydroxyhexanedial |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 263.7±23.0 °C at 760 mmHg |
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| Melting Point | -3.5ºC |
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| Molecular Formula | C6H10O3 |
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| Molecular Weight | 130.142 |
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| Flash Point | 127.5±19.1 °C |
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| Exact Mass | 130.062988 |
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| PSA | 54.37000 |
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| LogP | 0.17 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.442 |
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| InChIKey | WWMIMRADNBGDHP-UHFFFAOYSA-N |
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| SMILES | O=CCCCC(O)C=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MO1130000
- CHEMICAL NAME :
- Hexanedial, 2-hydroxy-
- CAS REGISTRY NUMBER :
- 141-31-1
- BEILSTEIN REFERENCE NO. :
- 1703104
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C6-H10-O3
- MOLECULAR WEIGHT :
- 130.16
- WISWESSER LINE NOTATION :
- VHYQ3VH
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 17 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3000 ppm/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,5,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 6 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,5,1961
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1500 ppm/14H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,5,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >20 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
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Safety Information
Customs
| HS Code | 2912491000 |
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| Summary | 2912491000. other aldehyde-alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
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Synonyms
| Hexanoic acid, 6-oxo- |
| 2-Hydroxy-adipinaldehyd |
| EINECS 205-479-1 |
| 6-Oxohexanoic acid |
| 2-Hydroxyadipaldehyde |
| Hydroxyadipaldehyde |
| 2-hydroxy-hexanedial |
| HEXANEDIAL,2-HYDROXY |
