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

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Names

[ CAS No. ]:
553-84-4

[ Name ]:
1-Pentanone,1-(3-furanyl)-4-methyl-

[Synonym ]:
Perilla ketone
1-furan-3-yl-4-methyl-pentan-1-one
Purple mint plant extract

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Hexanoyl chloride
  • Tributyl-3-furanyl-stannane
  • Dichloromethyl methyl ether
  • (3-furyl)(3-methylbutyl)(isopropoxy)borane
  • 1-(1-ethoxy-1-(furan-3-yl)-4-methylpentyl)-1H-benzo[d][1,2,3]triazole
  • 3-Furaldehyde
  • Isoamyl bromide
  • 3-Furoyl chloride
  • diisopentyl cadmium

DownStream

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%

Related Compounds

  • 1,1,3,3-TETRAMETHYL-1-(3-(OXIRAN-2-YLMETHOXY)PROPYL)DISILOXANE
  • 4-Ipomeanol
  • ipomeanol 4-glucuronide
  • 1-Pentanone,1-(2-furanyl)-4-methyl-
  • 1-Pentanone, 2,2-difluoro-1-(3-furanyl)-3-hydroxy-4-methyl- (9CI)
  • 3-Penten-1-one, 2,2-difluoro-1-(3-furanyl)-4-methyl- (9CI)
  • (E)-4-bromo-3-(2-propyl-phenoxy)-but-2-enoic acid ethyl ester
  • 2-Methanesulfonylspiro[3.4]octane-2-carboxylic acid
  • 4,4,5,5,5-Pentafluoropentan-2-amine
  • 2-methyl-N-((1-methylpiperidin-4-yl)methyl)propan-1-amine
  • 4-Pyridinemethanamine, N-[4-(2-aminobutyl)phenyl]-N-methyl-
  • 1-(2-Methoxyphenyl)cycloheptanol
  • 3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-amine
  • 6-(Difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
  • 2-(4-Bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
  • 1-[2-(2-Methylphenyl)ethyl]cyclopropan-1-ol