4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
Names
[ CAS No. ]:
79-77-6
[ Name ]:
4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
[Synonym ]:
(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
Chemical & Physical Properties
[ Density]:
0.9±0.1 g/cm3
[ Boiling Point ]:
257.6±0.0 °C at 760 mmHg
[ Melting Point ]:
-49°C
[ Molecular Formula ]:
C13H20O
[ Molecular Weight ]:
192.297
[ Flash Point ]:
104.4±0.0 °C
[ Exact Mass ]:
192.151413
[ PSA ]:
17.07000
[ LogP ]:
3.86
[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C
[ Index of Refraction ]:
1.512
[ Storage condition ]:
2-8°C
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 DATA
ACUTE 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
Safety Information
[ Hazard Codes ]:
Xi:Irritant;N:Dangerousfortheenvironment;
[ Risk Phrases ]:
R36;R51/53
[ Safety Phrases ]:
S61-S36/37-S26
[ RIDADR ]:
UN 3082 9/PG 3
[ WGK Germany ]:
2
[ RTECS ]:
EN0500000