Introduction:Basic information about CAS 79-69-6|irone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | irone |
|---|
| CAS Number | 79-69-6 | Molecular Weight | 206.32400 |
|---|
| Density | 0.914g/cm3 | Boiling Point | 278.7ºC at 760 mmHg |
|---|
| Molecular Formula | C14H22O | Melting Point | / |
|---|
| MSDS | ChineseUSA | Flash Point | 118.4ºC |
|---|
Names
| Name | α-irone |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 0.914g/cm3 |
|---|
| Boiling Point | 278.7ºC at 760 mmHg |
|---|
| Molecular Formula | C14H22O |
|---|
| Molecular Weight | 206.32400 |
|---|
| Flash Point | 118.4ºC |
|---|
| Exact Mass | 206.16700 |
|---|
| PSA | 17.07000 |
|---|
| LogP | 3.76010 |
|---|
| Index of Refraction | 1.5 |
|---|
| InChIKey | JZQOJFLIJNRDHK-CMDGGOBGSA-N |
|---|
| SMILES | CC(=O)C=CC1C(C)=CCC(C)C1(C)C |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EN0335000
- CHEMICAL NAME :
- 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-
- CAS REGISTRY NUMBER :
- 79-69-6
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C14-H22-O
- MOLECULAR WEIGHT :
- 206.36
- WISWESSER LINE NOTATION :
- L6UTJ A1 D1 E1 E1 F1U1V1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1950 mg/kg/8W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors
- REFERENCE :
- CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 33,3069,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5036 No. of Facilities: 85 (estimated) No. of Industries: 2 No. of Occupations: 8 No. of Employees: 4041 (estimated) No. of Female Employees: 276 (estimated)
|
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves |
|---|
| Safety Phrases | 23-24/25 |
|---|
| RIDADR | NONH for all modes of transport |
|---|
| WGK Germany | 2 |
|---|
| RTECS | EN0335000 |
|---|
Articles1
More Articles
| Fragrance material review on alpha-irone. Food Chem. Toxicol. 45 Suppl 1 , S272-5, (2007) A toxicologic and dermatologic review of alpha-irone when used as a fragrance ingredient is presented. | |
Synonyms
| EINECS 201-219-6 |
| MFCD00042628 |
| N-CARBAMYL-DL-THREONINE POTASSIUM SALT |
| NRDC 181 |
| alpha-irone |