orris butenone

Modify Date: 2025-09-22 00:13:38

orris butenone Structure
orris butenone structure
 Common Name orris butenone
CAS Number 67801-38-1 Molecular Weight 192.29700
Density 0.927g/cm3 Boiling Point 276ºC at 760 mmHg
Molecular Formula C13H20O Melting Point N/A
MSDS N/A Flash Point 116.9ºC

 Names

Name iritone
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.927g/cm3
Boiling Point 276ºC at 760 mmHg
Molecular Formula C13H20O
Molecular Weight 192.29700
Flash Point 116.9ºC
Exact Mass 192.15100
PSA 17.07000
LogP 3.37000
Index of Refraction 1.508
InChIKey FETSKTIMHFKZNF-AATRIKPKSA-N
SMILES CC(=O)C=CC1C(C)C=C(C)CC1C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EN0345000
CHEMICAL NAME :
3-Buten-2-one, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-
CAS REGISTRY NUMBER :
67801-38-1
BEILSTEIN REFERENCE NO. :
3243121
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H20-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 :
5200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,131S,1992
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 :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,131S,1992

 Synthetic Route

Acetone structure

Acetone

CAS#:67-64-1

~%

orris butenone Structure

orris butenone

CAS#:67801-38-1

Literature: I.G. Farbenind. Patent: DE545398 , 1929 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 17, p. 582,583
Hexylene glycol structure

Hexylene glycol

CAS#:107-41-5

~%

orris butenone Structure

orris butenone

CAS#:67801-38-1

Literature: Diels; Alder Justus Liebigs Annalen der Chemie, 1929 , vol. 470, p. 103 Justus Liebigs Annalen der Chemie, 1931 , vol. 486, p. 216
2-methyl-2-pentene structure

2-methyl-2-pentene

CAS#:625-27-4

~%

orris butenone Structure

orris butenone

CAS#:67801-38-1

Literature: Diels; Alder Justus Liebigs Annalen der Chemie, 1929 , vol. 470, p. 103 Justus Liebigs Annalen der Chemie, 1931 , vol. 486, p. 216
2,3-dibromo-2-methylpentane structure

2,3-dibromo-2-m...

CAS#:54305-88-3

~%

orris butenone Structure

orris butenone

CAS#:67801-38-1

Literature: Diels; Alder Justus Liebigs Annalen der Chemie, 1929 , vol. 470, p. 103 Justus Liebigs Annalen der Chemie, 1931 , vol. 486, p. 216
(3E)-2-Methyl-1,3-pentadiene structure

(3E)-2-Methyl-1...

CAS#:1118-58-7

~%

orris butenone Structure

orris butenone

CAS#:67801-38-1

Literature: Diels; Alder Justus Liebigs Annalen der Chemie, 1929 , vol. 470, p. 103 Justus Liebigs Annalen der Chemie, 1931 , vol. 486, p. 216
3-Cyclohexene-1-carboxaldehyde,2,4,6-trimethyl- structure

3-Cyclohexene-1...

CAS#:1423-46-7

Acetone structure

Acetone

CAS#:67-64-1

~%

orris butenone Structure

orris butenone

CAS#:67801-38-1

Literature: Diels; Alder Justus Liebigs Annalen der Chemie, 1929 , vol. 470, p. 103 Justus Liebigs Annalen der Chemie, 1931 , vol. 486, p. 216
3,6,7-Trimethyl-2,6-octadienal structure

3,6,7-Trimethyl...

CAS#:1891-67-4

Acetone structure

Acetone

CAS#:67-64-1

~%

orris butenone Structure

orris butenone

CAS#:67801-38-1

Literature: Naves Helvetica Chimica Acta, 1948 , vol. 31, p. 1108 Full Text Show Details Naves; Grampoloff; Bachmann Helvetica Chimica Acta, 1947 , vol. 30, p. 1599,1609 Full Text Show Details Seidel; Schinz; Ruzicka Helvetica Chimica Acta, 1949 , vol. 32, p. 2102,2115, 2119

 Synonyms

TRIMETHYL CYCLOHEXENYL BUTENONE
Einecs 267-158-2
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