Introduction：Basic information about CAS 24851-98-7|Methyl 2-(3-oxo-2-pentylcyclopentyl)acetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl 2-(3-oxo-2-pentylcyclopentyl)acetate |
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| CAS Number | 24851-98-7 | Molecular Weight | 226.312 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 307.8±15.0 °C at 760 mmHg |
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| Molecular Formula | C13H22O3 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 130.8±20.4 °C |
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Names
| Name | Methyl dihydrojasmonate |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| In Vitro | Methyl dihydrojasmonate is found in fragrances used in decorative cosmetics, fine fragrances, shampoos, toilet soaps and other toiletries as well as in non-cosmetic products such as household cleaners and detergents[1]. |
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| References | [1]. Scognamiglio J, et al. Fragrance material review on methyl dihydrojasmonate. Food Chem Toxicol. 2012 Oct;50 Suppl 3:S562-71. |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 307.8±15.0 °C at 760 mmHg |
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| Molecular Formula | C13H22O3 |
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| Molecular Weight | 226.312 |
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| Flash Point | 130.8±20.4 °C |
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| Exact Mass | 226.156891 |
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| PSA | 43.37000 |
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| LogP | 2.50 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.453 |
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| InChIKey | KVWWIYGFBYDJQC-UHFFFAOYSA-N |
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| SMILES | CCCCCC1C(=O)CCC1CC(=O)OC |
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| Water Solubility | H2O: insoluble |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GY2453800
- CHEMICAL NAME :
- Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester
- CAS REGISTRY NUMBER :
- 24851-98-7
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C13-H22-O3
- MOLECULAR WEIGHT :
- 226.35
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,85S,1992
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,85S,1992 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2419 No. of Facilities: 884 (estimated) No. of Industries: 2 No. of Occupations: 6 No. of Employees: 9641 (estimated) No. of Female Employees: 4689 (estimated)
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Safety Information
| Hazard Codes | Xn |
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| Safety Phrases | S23-S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 2 |
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| RTECS | GY2453800 |
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| HS Code | 2918300090 |
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Customs
| HS Code | 2918300090 |
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| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synonyms
| Methyldihydrojasonate |
| (+)-Methyl dihydrojasmonate |
| Methyl 2-(3-oxo-2-pentylcyclopentyl)acetate |
| (3-Oxo-2-pentylcyclopentyl)acetic acid methyl ester,Methyl,3-oxo-2-pentylcyclopentyl)acetate |
| CEPIONATE |
| methyl 3-oxo-2-pentylcyclopentaneacetate |
| 2-Amylcyclopentan-1-one-3-acetic Acid Methyl Ester |
| MDJ SUPER |
| HEDION |
| Methyl 3-Oxo-2-pentyl-1-cyclopentaneacetate |
| EINECS 246-495-9 |
| METHYL DIHYDROJASMONATE, (+)-CIS- |
| hedione |
| Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1R,2S)- |
| Dihydrojasmonic Acid Methyl Ester |
| kharismal |
| CAIGEON |
| Methyl [(1R,2S)-3-oxo-2-pentylcyclopentyl]acetate |
| Methyl dihydrojasmonate |
| Paradisone |
| MFCD00151188 |
