1,4-Pentanedione,1-(3-furanyl)-

Modify Date: 2024-01-20 11:56:50

1,4-Pentanedione,1-(3-furanyl)- Structure
1,4-Pentanedione,1-(3-furanyl)- structure
 Common Name 1,4-Pentanedione,1-(3-furanyl)-
CAS Number 496-06-0 Molecular Weight 166.17400
Density 1.104g/cm3 Boiling Point 282ºC at 760mmHg
Molecular Formula C9H10O3 Melting Point N/A
MSDS N/A Flash Point 127ºC

 Names

Name 1-(Furan-3-yl)pentane-1,4-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.104g/cm3
Boiling Point 282ºC at 760mmHg
Molecular Formula C9H10O3
Molecular Weight 166.17400
Flash Point 127ºC
Exact Mass 166.06300
PSA 47.28000
LogP 1.83150
Vapour Pressure 0.00344mmHg at 25°C
Index of Refraction 1.477

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA1956000
CHEMICAL NAME :
1,4-Pentanedione, 1-(3-furyl)-
CAS REGISTRY NUMBER :
496-06-0
BEILSTEIN REFERENCE NO. :
0125898
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H10-O3
MOLECULAR WEIGHT :
166.19
WISWESSER LINE NOTATION :
T5OJ CV2V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
26 mg/kg
TOXIC EFFECTS :
Vascular - other changes Lungs, Thorax, or Respiration - chronic pulmonary edema Lungs, Thorax, or Respiration - pleural effusion
REFERENCE :
BBACAQ Biochimica et Biophysica Acta. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1947- Volume(issue)/page/year: 337,184,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Vascular - other changes Lungs, Thorax, or Respiration - chronic pulmonary edema Lungs, Thorax, or Respiration - pleural effusion
REFERENCE :
BBACAQ Biochimica et Biophysica Acta. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1947- Volume(issue)/page/year: 337,184,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
14 mg/kg
TOXIC EFFECTS :
Vascular - other changes Lungs, Thorax, or Respiration - chronic pulmonary edema Lungs, Thorax, or Respiration - pleural effusion
REFERENCE :
BBACAQ Biochimica et Biophysica Acta. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1947- Volume(issue)/page/year: 337,184,1974

 Safety Information

HS Code 2932190090

 Synthetic Route

N/A structure

N/A

CAS#:142896-17-1
Acetyl chloride structure

Acetyl chloride

CAS#:75-36-5

~99%

1,4-Pentanedione,1-(3-furanyl)- Structure

1,4-Pentanedion...

CAS#:496-06-0
Literature: Echavarren, Antonio M.; Perez, Marta; Castano, Ana M.; Cuerva, Juan M. Journal of Organic Chemistry, 1994 , vol. 59, # 15 p. 4179 - 4185
3-Furoyl chloride structure

3-Furoyl chloride

CAS#:26214-65-3
3-Buten-2-one, 4-(tributylstannyl)-, (3E) structure

3-Buten-2-one, ...

CAS#:94806-25-4

~67%

1,4-Pentanedione,1-(3-furanyl)- Structure

1,4-Pentanedion...

CAS#:496-06-0
Literature: Echavarren, Antonio M.; Perez, Marta; Castano, Ana M.; Cuerva, Juan M. Journal of Organic Chemistry, 1994 , vol. 59, # 15 p. 4179 - 4185
3-[4,4-(ethylenedithio)pentanoyl]furan structure

3-[4,4-(ethylen...

CAS#:84365-18-4

~88%

1,4-Pentanedione,1-(3-furanyl)- Structure

1,4-Pentanedion...

CAS#:496-06-0
Literature: Watanabe, Eiji; Imai, Naohiro; Inomata, Katsuhiko; Kinoshita, Hideki; Kotake, Hiroshi Bulletin of the Chemical Society of Japan, 1982 , vol. 55, # 10 p. 3225 - 3228
N/A structure

N/A

CAS#:142896-17-1
Acetyl chloride structure

Acetyl chloride

CAS#:75-36-5

~5%

1,4-Pentanedione,1-(3-furanyl)- Structure

1,4-Pentanedion...

CAS#:496-06-0

N/A structure

N/A

CAS#:142896-18-2
Literature: Echavarren, Antonio M.; Perez, Marta; Castano, Ana M.; Cuerva, Juan M. Journal of Organic Chemistry, 1994 , vol. 59, # 15 p. 4179 - 4185
(4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,4,6-triol structure

(4R)-1-(furan-3...

CAS#:247256-65-1

~%

1,4-Pentanedione,1-(3-furanyl)- Structure

1,4-Pentanedion...

CAS#:496-06-0
Literature: Dimitriadis, Eugene; Massy-Westropp, Ralph A. Phytochemistry (Elsevier), 1984 , vol. 23, # 6 p. 1325 - 1326
3-(2-methyl-[1,3]-dithiolan-2-yl)propionic acid structure

3-(2-methyl-[1,...

CAS#:54717-84-9

~%

1,4-Pentanedione,1-(3-furanyl)- Structure

1,4-Pentanedion...

CAS#:496-06-0
Literature: Watanabe, Eiji; Imai, Naohiro; Inomata, Katsuhiko; Kinoshita, Hideki; Kotake, Hiroshi Bulletin of the Chemical Society of Japan, 1982 , vol. 55, # 10 p. 3225 - 3228
1-[4,4-(ethylenedithio)pentanoyl]aziridine structure

1-[4,4-(ethylen...

CAS#:84365-21-9

~%

1,4-Pentanedione,1-(3-furanyl)- Structure

1,4-Pentanedion...

CAS#:496-06-0
Literature: Watanabe, Eiji; Imai, Naohiro; Inomata, Katsuhiko; Kinoshita, Hideki; Kotake, Hiroshi Bulletin of the Chemical Society of Japan, 1982 , vol. 55, # 10 p. 3225 - 3228
6,6-dimethoxy-1-(2-methyl-1,3-dithiolan-2-yl)-4-(phenylthio)hexan-3-one structure

6,6-dimethoxy-1...

CAS#:84393-19-1

~%

1,4-Pentanedione,1-(3-furanyl)- Structure

1,4-Pentanedion...

CAS#:496-06-0
Literature: Watanabe, Eiji; Imai, Naohiro; Inomata, Katsuhiko; Kinoshita, Hideki; Kotake, Hiroshi Bulletin of the Chemical Society of Japan, 1982 , vol. 55, # 10 p. 3225 - 3228
7,7-ethylenedithio-4-oxo-3-(phenylthio)octanal dimethyl acetal structure

7,7-ethylenedit...

CAS#:84365-24-2

~%

1,4-Pentanedione,1-(3-furanyl)- Structure

1,4-Pentanedion...

CAS#:496-06-0
Literature: Watanabe, Eiji; Imai, Naohiro; Inomata, Katsuhiko; Kinoshita, Hideki; Kotake, Hiroshi Bulletin of the Chemical Society of Japan, 1982 , vol. 55, # 10 p. 3225 - 3228

 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

1-(furan-3-yl)pentane-1,4-dione
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