CAS 553-84-4|1-Pentanone,1-(3-furanyl)-4-methyl-

Introduction：Basic information about CAS 553-84-4|1-Pentanone,1-(3-furanyl)-4-methyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 1-Pentanone,1-(3-furanyl)-4-methyl- BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

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	/
MSDS	/	Flash Point	96.8ºC

Names

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

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

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	Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology
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
InChIKey	LVHLZMUFIYAEQB-UHFFFAOYSA-N
SMILES	CC(C)CCC(=O)c1ccoc1

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

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

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