irone

Modify Date: 2025-08-23 08:00:48

irone Structure
irone structure
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 N/A
MSDS Chinese USA 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 DATA

ACUTE 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
The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.