Introduction：Basic information about CAS 14901-07-6|β-Ionone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | β-Ionone |
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| CAS Number | 14901-07-6 | Molecular Weight | 192.297 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 254.8±0.0 °C at 760 mmHg |
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| Molecular Formula | C13H20O | Melting Point | -49ºC |
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| MSDS | ChineseUSA | Flash Point | 121.3±11.9 °C |
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Names
| Name | beta-Jonone |
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| Synonym | More Synonyms |
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β-Ionone BiologicalActivity
| Description | β-Ionone, isolated from plant oils, is effective in the induction of apoptosis in gastric adenocarcinoma SGC7901 cells. Anti-cancer activity[1]. |
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| Related Catalog | Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>Cancer |
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| In Vitro | β-Ionone is an analog of β-carotenoids which widely distributed in fruit and vegetables[1]. β-ionone (25, 50, 100 and 200 μM; for 24 and 48 h) inhibits SGC-7901 cell line growth. The measured IC50 value is 89 μM[1]. |
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| References | [1]. Mahsa Ansari, et al. β-Ionone and Its Analogs as Promising Anticancer Agents. Eur J Med Chem. 2016 Nov 10;123:141-154. |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 254.8±0.0 °C at 760 mmHg |
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| Melting Point | -49ºC |
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| Molecular Formula | C13H20O |
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| Molecular Weight | 192.297 |
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| Flash Point | 121.3±11.9 °C |
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| Exact Mass | 192.151413 |
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| PSA | 17.07000 |
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| LogP | 3.85 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.518 |
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| InChIKey | PSQYTAPXSHCGMF-BQYQJAHWSA-N |
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| SMILES | CC(=O)C=CC1=C(C)CCCC1(C)C |
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| Storage condition | 2-8°C |
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| Water Solubility | SLIGHTLY SOLUBLE |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EN0350000
- CHEMICAL NAME :
- 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
- CAS REGISTRY NUMBER :
- 14901-07-6
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C13-H20-O
- MOLECULAR WEIGHT :
- 192.33
- WISWESSER LINE NOTATION :
- L6UTJ A1U1V1 B1 F1 F1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4590 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - tremor
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2277 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FAONAU FAO Nutrition Meetings Report Series. (Rome, Italy) No.?-57, 1948-77. Discontinued. Volume(issue)/page/year: 44A,48,1967 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6663 No. of Facilities: 1930 (estimated) No. of Industries: 18 No. of Occupations: 19 No. of Employees: 27288 (estimated) No. of Female Employees: 7053 (estimated)
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Safety Information
| Hazard Codes | Xi: Irritant;N: Dangerous for the environment; |
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| Risk Phrases | R38;R51/53 |
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| Safety Phrases | 61-36/37/39-27-26 |
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| RIDADR | UN 3082 |
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| WGK Germany | 2 |
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| RTECS | EN0500000 |
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| Packaging Group | II; III |
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| Hazard Class | 4.1 |
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| HS Code | 2914399090 |
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Customs
| HS Code | 2914399090 |
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| Summary | 2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
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Synonyms
| 3-Buten-2-one,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- |
| (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one |
| Beta-Ionone |
| MFCD00001549 |
| β-Ionone |
| EINECS 201-224-3 |
| trans-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one |
| beta-Ionone,synthetic |
| trans-b-Ionone |
| (3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one |
| 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)- |
| (E)-b-Ionone |
| 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- |
| 3-Buten-2-one, 4- (2,6,6-trimethyl-1-cyclohexen-1-yl)- |
| trans-β-Ionone |
