Introduction：Basic information about CAS 59669-16-8|Octanoic acid-13C, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Octanoic acid-13C |
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| CAS Number | 59669-16-8 | Molecular Weight | 145.20400 |
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| Density | 0.910 g/mL at 25ºC | Boiling Point | 237ºC(lit.) |
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| Molecular Formula | C713CH16O2 | Melting Point | 16ºC(lit.) |
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| MSDS | ChineseUSA | Flash Point | >230 °F |
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| Symbol |
GHS05 | Signal Word | Danger |
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Names
| Name | Octanoic-1-13C acid |
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| Synonym | More Synonyms |
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Octanoic acid-13C BiologicalActivity
| Description | Octanoic acid-13C (Caprylic acid-13C) is the 13C labeled Octanoic acid. Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes. |
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| Related Catalog | Research Areas >>Metabolic Disease |
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| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
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| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. |
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Chemical & Physical Properties
| Density | 0.910 g/mL at 25ºC |
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| Boiling Point | 237ºC(lit.) |
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| Melting Point | 16ºC(lit.) |
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| Molecular Formula | C713CH16O2 |
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| Molecular Weight | 145.20400 |
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| Flash Point | >230 °F |
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| Exact Mass | 145.11800 |
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| PSA | 37.30000 |
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| LogP | 2.43150 |
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| Index of Refraction | n20/D 1.4284(lit.) |
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| InChIKey | WWZKQHOCKIZLMA-VJJZLTLGSA-N |
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| SMILES | CCCCCCCC(=O)O |
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Safety Information
| Symbol |
GHS05 |
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| Signal Word | Danger |
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| Hazard Statements | H314 |
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| Precautionary Statements | P280-P305 + P351 + P338-P310 |
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| Hazard Codes | C |
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| Risk Phrases | R34 |
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| Safety Phrases | 26-27-36/37/39-45-36/39 |
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| RIDADR | UN 3265 8/PG 3 |
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| WGK Germany | 3 |
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| HS Code | 28459000 |
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Synonyms
| Octanoic acid-1-13C Extra |
| Caprylic acid-1-13C |
| MFCD00037627 |
| 1-13C-Octanoicacid |
