Alpha-Angelica lactone

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Names

[ CAS No. ]:
591-12-8

[ Name ]:
Alpha-Angelica lactone

[Synonym ]:
D2-Angelica lactone
δ2-Angelica lactone
EINECS 209-701-8
5-methyl-3H-furan-2-one
α-Angelica lactone
2(3H)-Furanone, 5-methyl-
5-Methylfuran-2(3H)-one
g-Methyl-b,g-crotonolactone
alpha-Angelica lactone
MFCD00005375
5-Methyl-2(3H)-furanone
4-Hydroxy-3-pentenoic acid γ-lactone
a-Angelic lactone
a-Angelica Lactone
4-Hydroxy-3-pentenoic acid g-lactone

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
249.4±9.0 °C at 760 mmHg

[ Melting Point ]:
13-17 °C(lit.)

[ Molecular Formula ]:
C5H6O2

[ Molecular Weight ]:
98.100

[ Flash Point ]:
68.3±0.0 °C

[ Exact Mass ]:
98.036781

[ PSA ]:
26.30000

[ LogP ]:
0.84

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.472

[ Water Solubility ]:
5 g/100 mL (25 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LU5075000
CHEMICAL NAME :
2(3H)-Furanone, 5-methyl-
CAS REGISTRY NUMBER :
591-12-8
BEILSTEIN REFERENCE NO. :
0108394
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C5-H6-O2
MOLECULAR WEIGHT :
98.11
WISWESSER LINE NOTATION :
T5OV CHJ E1

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 :
3900 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571138
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,249,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 2,109,1946

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)

[ Hazard Codes ]:
Xi

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NA 1993 / PGIII

[ WGK Germany ]:
2

[ RTECS ]:
LU5075000

[ HS Code ]:
2932209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Levulinic acid
  • 3-Pentynoic acid
  • D-fructofuranose
  • β-D-Glucopyranose
  • γ-Methylene-γ-butyrolactone
  • 4-Pentynoic acid
  • Cellulose microcrystalline
  • 5-hydroxymethylfurfural
  • 2(5H)-Furanone,5-methyl-

DownStream

  • 5-methoxy-2-methyl-3-indoleacetic acid
  • Indometacin
  • Methyl 4-oxopentanoate
  • 2(3H)-Furanone,dihydro-5-methoxy-5-methyl-
  • 4-oxo-N-phenylpentanamide
  • Isopropyl 4-oxopentanoate
  • 2(5H)-Furanone,5-methyl-
  • Levulinic acid
  • Ethyl 4-oxopentanoate
  • 5-ethoxy-5-methyloxolan-2-one

Customs

[ HS Code ]: 2932209090

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Characterization of the PON1 active site using modeling simulation, in relation to PON1 lactonase activity

Bioorg. Med. Chem. 16 , 7504-9, (2008)

Paraoxonase1 (PON1) is a HDL bound enzyme and many of the anti-atherogenic properties of HDL are attributed to PON1. The enzyme precise mechanism of protective action and its endogenous substrate rema...

Enhancement of rat hepatic and gastrointestinal glutathione and glutathione S-transferases by alpha-angelicalactone and flavone.

Carcinogenesis 16(3) , 607-12, (1995)

The naturally occurring anticarcinogens flavone and alpha-angelicalactone incorporated separately and simultaneously in the diet at 0.5, 0.1, 0.05 and 0.01% w/w, were studied with respect to their eff...

Catalytic asymmetric vinylogous Mannich-type (AVM) reaction of nonactivated α-angelica lactone.

Org. Lett. 13(12) , 3056-9, (2011)

A direct highly diastereo- and enantioselective asymmetric vinylogous Mannich-type (AVM) reaction of aldimines with nonactivated natural α-angelica lactone has been successfully developed. It was demo...


More Articles

Related Compounds

  • γ-Methylene-γ-butyrolactone
  • (R)-β-angelica lactone
  • 2(5H)-Furanone,5-methyl-
  • 2-methyl furan-3(2H)-one
  • ALPHA-METHYL-EPSILON-CAPROLACTONE
  • alpha-D-Glucofuranosiduronicacid,ethyl5-O-methyl-,gamma-lactone(9CI)
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine