Introduction：Basic information about CAS 16429-21-3|Delta-dodecanolactone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Delta-dodecanolactone |
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| CAS Number | 16429-21-3 | Molecular Weight | 198.30200 |
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| Density | 0.942 g/mL at 25 °C(lit.) | Boiling Point | 140-141 °C1 mm Hg(lit.) |
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| Molecular Formula | C12H22O2 | Melting Point | −12 °C(lit.) |
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| MSDS | / | Flash Point | >230 °F |
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Names
| Name | 7-hexyloxepan-2-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.942 g/mL at 25 °C(lit.) |
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| Boiling Point | 140-141 °C1 mm Hg(lit.) |
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| Melting Point | −12 °C(lit.) |
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| Molecular Formula | C12H22O2 |
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| Molecular Weight | 198.30200 |
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| Flash Point | >230 °F |
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| Exact Mass | 198.16200 |
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| PSA | 26.30000 |
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| LogP | 3.44260 |
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| Vapour Pressure | 0.0015mmHg at 25°C |
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| Index of Refraction | n20/D 1.460(lit.) |
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| InChIKey | FRTMRFCNTDDSOB-UHFFFAOYSA-N |
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| SMILES | CCCCCCC1CCCCC(=O)O1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- RQ6710000
- CHEMICAL NAME :
- 2-Oxepanone, 7-hexyl-
- CAS REGISTRY NUMBER :
- 16429-21-3
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C12-H22-O2
- MOLECULAR WEIGHT :
- 198.34
- WISWESSER LINE NOTATION :
- T7OVTJ G6
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 7898 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,249,1980
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | 36/37/38 |
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| Safety Phrases | S26-S37/39 |
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| WGK Germany | 2 |
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| RTECS | UQ0850000 |
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| HS Code | 2932209090 |
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Customs
| HS Code | 2932209090 |
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| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| MFCD00006651 |
| 7-hexylcaprolactone |
| 6-dodecanolide |
| 7-(R,S)-hexyloxepan-2-one |
| 2-Oxepanone,7-hexyl |
| 7-Hexyl-2-oxepanone |
| FEMA No. 3610 |
| EINECS 211-932-4 |
| EINECS 240-483-7 |
| 6-Hexylhexanolide |
