1-Pentanone,1-(3-furanyl)-4-methyl-

Modify Date: 2024-01-07 18:22:04

1-Pentanone,1-(3-furanyl)-4-methyl- Structure
1-Pentanone,1-(3-furanyl)-4-methyl- structure
Common Name 1-Pentanone,1-(3-furanyl)-4-methyl-
CAS Number 553-84-4 Molecular Weight 166.21700
Density 0.976g/cm3 Boiling Point 224.4ºC at 760mmHg
Molecular Formula C10H14O2 Melting Point N/A
MSDS N/A Flash Point 96.8ºC

 Use of 1-Pentanone,1-(3-furanyl)-4-methyl-


Perilla ketone is a naturally occurring xenobiotic compound. Perilla ketone is activated by pulmonary P450 cytochrome enzymes in the lung, resulting in severe pulmonary damage and development of diffuse pulmonary edema[1].

 Names

Name 1-(furan-3-yl)-4-methylpentan-1-one
Synonym More Synonyms

 1-Pentanone,1-(3-furanyl)-4-methyl- Biological Activity

Description Perilla ketone is a naturally occurring xenobiotic compound. Perilla ketone is activated by pulmonary P450 cytochrome enzymes in the lung, resulting in severe pulmonary damage and development of diffuse pulmonary edema[1].
Related Catalog
References

[1]. Alan R Doster, et al. Bovine atypical interstitial pneumonia. Vet Clin North Am Food Anim Pract. 2010 Jul;26(2):395-407.

 Chemical & Physical Properties

Density 0.976g/cm3
Boiling Point 224.4ºC at 760mmHg
Molecular Formula C10H14O2
Molecular Weight 166.21700
Flash Point 96.8ºC
Exact Mass 166.09900
PSA 30.21000
LogP 2.89850
Index of Refraction 1.465

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA8935000
CHEMICAL NAME :
1-Pentanone, 1-(3-furanyl)-4-methyl-
CAS REGISTRY NUMBER :
553-84-4
BEILSTEIN REFERENCE NO. :
0114624
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C10-H14-O2
MOLECULAR WEIGHT :
166.24
WISWESSER LINE NOTATION :
T5OJ CV2Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 197,573,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 197,573,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
106 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - chronic pulmonary edema
REFERENCE :
JANSAG Journal of Animal Science. (American Soc. of Animal Science, 309 W. Clark St., Champaign, IL 61820) V.1- 1942- Volume(issue)/page/year: 60,248,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
14 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - chronic pulmonary edema
REFERENCE :
JANSAG Journal of Animal Science. (American Soc. of Animal Science, 309 W. Clark St., Champaign, IL 61820) V.1- 1942- Volume(issue)/page/year: 60,248,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
13700 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - chronic pulmonary edema
REFERENCE :
JANSAG Journal of Animal Science. (American Soc. of Animal Science, 309 W. Clark St., Champaign, IL 61820) V.1- 1942- Volume(issue)/page/year: 60,248,1985
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - domestic
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 45,300,1978

 Safety Information

HS Code 2932190090

 Synthetic Route

~74%

1-Pentanone,1-(3-furanyl)-4-methyl- Structure

1-Pentanone,1-(...

CAS#:553-84-4

Literature: Bailey Synthesis, 1991 , # 3 p. 242 - 243

~%

1-Pentanone,1-(3-furanyl)-4-methyl- Structure

1-Pentanone,1-(...

CAS#:553-84-4

Literature: Brown,H.C.; Srebnik,M.; Bakshi,R.K. Journal of the American Chemical Society, 1987 , vol. 109, p. 5420

~%

1-Pentanone,1-(3-furanyl)-4-methyl- Structure

1-Pentanone,1-(...

CAS#:553-84-4

Literature: Katritzky, Alan R.; Lang, Hengyuan; Wang, Zuoquan; Zhang, Zhongxing; Song, Huimin Journal of Organic Chemistry, 1995 , vol. 60, # 23 p. 7619 - 7624

~%

1-Pentanone,1-(3-furanyl)-4-methyl- Structure

1-Pentanone,1-(...

CAS#:553-84-4

Literature: Katritzky, Alan R.; Lang, Hengyuan; Wang, Zuoquan; Zhang, Zhongxing; Song, Huimin Journal of Organic Chemistry, 1995 , vol. 60, # 23 p. 7619 - 7624

~%

1-Pentanone,1-(3-furanyl)-4-methyl- Structure

1-Pentanone,1-(...

CAS#:553-84-4

Literature: Katritzky, Alan R.; Lang, Hengyuan; Wang, Zuoquan; Zhang, Zhongxing; Song, Huimin Journal of Organic Chemistry, 1995 , vol. 60, # 23 p. 7619 - 7624

~%

1-Pentanone,1-(3-furanyl)-4-methyl- Structure

1-Pentanone,1-(...

CAS#:553-84-4

Literature: Katritzky, Alan R.; Lang, Hengyuan; Wang, Zuoquan; Zhang, Zhongxing; Song, Huimin Journal of Organic Chemistry, 1995 , vol. 60, # 23 p. 7619 - 7624

~%

1-Pentanone,1-(3-furanyl)-4-methyl- Structure

1-Pentanone,1-(...

CAS#:553-84-4

Literature: Matsuura Bulletin of the Chemical Society of Japan, 1957 , vol. 30, p. 430

 Customs

HS Code 2932190090
Summary 2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

 Synonyms

Perilla ketone
1-furan-3-yl-4-methyl-pentan-1-one
Purple mint plant extract