Introduction：Basic information about CAS 79-77-6|4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one |
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| CAS Number | 79-77-6 | Molecular Weight | 192.297 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 257.6±0.0 °C at 760 mmHg |
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| Molecular Formula | C13H20O | Melting Point | -49°C |
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| MSDS | ChineseUSA | Flash Point | 104.4±0.0 °C |
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Names
| Name | β-ionone |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 257.6±0.0 °C at 760 mmHg |
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| Melting Point | -49°C |
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| Molecular Formula | C13H20O |
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| Molecular Weight | 192.297 |
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| Flash Point | 104.4±0.0 °C |
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| Exact Mass | 192.151413 |
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| PSA | 17.07000 |
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| LogP | 3.86 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.512 |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EN0500000
- CHEMICAL NAME :
- 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
- CAS REGISTRY NUMBER :
- 79-77-6
- BEILSTEIN REFERENCE NO. :
- 1909544
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C13-H20-O
- MOLECULAR WEIGHT :
- 192.33
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 480 mg/kg
- SEX/DURATION :
- female 8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 83,563,1986
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Safety Information
| Hazard Codes | Xi:Irritant;N:Dangerousfortheenvironment; |
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| Risk Phrases | R36;R51/53 |
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| Safety Phrases | S61-S36/37-S26 |
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| RIDADR | UN 3082 9/PG 3 |
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| WGK Germany | 2 |
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| RTECS | EN0500000 |
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Synonyms
| (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one |
| 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one |
| (3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one |
| MFCD00001549 |
| EINECS 201-224-3 |
| (E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one |
| IONONE,B |
| OIL |
| beta-ionone |
| 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)- |
| UNII:I9V075M61R |
| 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- |
| B-IONONE |
