dihydro-alpha-methyl alpha-ionone

Modify Date: 2025-09-20 23:22:34

dihydro-alpha-methyl alpha-ionone Structure
dihydro-alpha-methyl alpha-ionone structure
Common Name dihydro-alpha-methyl alpha-ionone
CAS Number 68480-17-1 Molecular Weight 208.34000
Density 0.866g/cm3 Boiling Point 275.7ºC at 760 mmHg
Molecular Formula C14H24O Melting Point N/A
MSDS N/A Flash Point 99.3ºC

 Names

Name 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pentan-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.866g/cm3
Boiling Point 275.7ºC at 760 mmHg
Molecular Formula C14H24O
Molecular Weight 208.34000
Flash Point 99.3ºC
Exact Mass 208.18300
PSA 17.07000
LogP 4.12820
Index of Refraction 1.449
InChIKey KUZMAEUMYSXKOU-UHFFFAOYSA-N
SMILES CCC(=O)CCC1C(C)=CCCC1(C)C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SB0125000
CHEMICAL NAME :
3-Pentanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
CAS REGISTRY NUMBER :
68480-17-1
BEILSTEIN REFERENCE NO. :
3260788
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C14-H24-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,527,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,527,1979

 Synonyms

dihydromethyl ionone
1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)pentan-3-on
1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-pentanone
3-Pentanone,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)
Einecs 270-894-7
1-(2,6,6-trimethyl-cyclohex-2-enyl)-pentan-3-one
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