Alpha-Angelica lactone

Modify Date: 2024-01-02 00:01:10

Alpha-Angelica lactone structure	Common Name	Alpha-Angelica lactone
	CAS Number	591-12-8	Molecular Weight	98.100
	Density	1.1±0.1 g/cm3	Boiling Point	249.4±9.0 °C at 760 mmHg
	Molecular Formula	C₅H₆O₂	Melting Point	13-17 °C(lit.)
	MSDS	Chinese USA	Flash Point	68.3±0.0 °C

Use of Alpha-Angelica lactone

α-Angelica lactone is a naturally occurring anticarcinogen and an vinylogous nucleophile. α-Angelica lactone can give the chiral δ-amino γ,γ-disubstituted butenolide carbonyl derivatives and exhibitselectrophilic trapping at the γ-carbon. α-Angelica lactone exerts strong chemoprotective effects by selective enhancement of glutathione-S-thansferase (GST) and UDP-glucononosyltransferase (UGT) detoxification enzymes[1][2][3][4].

Name	α-angelica lactone
Synonym	More Synonyms

Description	α-Angelica lactone is a naturally occurring anticarcinogen and an vinylogous nucleophile. α-Angelica lactone can give the chiral δ-amino γ,γ-disubstituted butenolide carbonyl derivatives and exhibitselectrophilic trapping at the γ-carbon. α-Angelica lactone exerts strong chemoprotective effects by selective enhancement of glutathione-S-thansferase (GST) and UDP-glucononosyltransferase (UGT) detoxification enzymes[1][2][3][4].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Metabolic Enzyme/Protease >> Gutathione S-transferase
Target	Glutathione-S-thansferase (GST) detoxification enzyme[1][2] UDP-glucononosyltransferase (UGT) detoxification enzyme[2]
References	[1]. W A Nijhoff, et al. Quantification of Induction of Rat Oesophageal, Gastric and Pancreatic Glutathione and Glutathione S-transferases by Dietary Anticarcinogens. Carcinogenesis. 1994 Sep;15(9):1769-72. [2]. E M J van der Logt, et al. Induction of Rat Hepatic and Intestinal UDP-glucuronosyltransferases by Naturally Occurring Dietary Anticarcinogens. Carcinogenesis. 2003 Oct;24(10):1651-6. [3]. Lin Zhou, et al. Catalytic Asymmetric Vinylogous Mannich-type (AVM) Reaction of Nonactivated α-Angelica Lactone. Org Lett. 2011 Jun 17;13(12):3056-9. [4]. Jessica A Griswold, et al. Diastereoselective Organocatalytic Addition of α-Angelica Lactone to β-Halo-α-ketoesters. J Org Chem. 2017 Feb 17;82(4):2276-2280.

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)

Alpha-Angelica lactone MSDS(Chinese)

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

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

Precursor 9
CAS#:123-76-2 Levulinic acid CAS#:36781-65-4 3-Pentynoic acid CAS#:10489-79-9 D-fructofuranose CAS#:492-61-5 β-D-Glucopyranose
CAS#:10008-73-8 γ-Methylene-γ-b... CAS#:6089-09-4 4-Pentynoic acid CAS#:9004-34-6 Cellulose micro... CAS#:67-47-0 5-hydroxymethyl...
CAS#:591-11-7 2(5H)-Furanone,...
DownStream 10
CAS#:2882-15-7 5-methoxy-2-met... CAS#:53-86-1 Indometacin CAS#:624-45-3 Methyl 4-oxopen... CAS#:1487-57-6 2(3H)-Furanone,...
CAS#:23132-35-6 4-oxo-N-phenylp... CAS#:21884-26-4 Isopropyl 4-oxo... CAS#:591-11-7 2(5H)-Furanone,... CAS#:123-76-2 Levulinic acid
CAS#:539-88-8 Ethyl 4-oxopent... CAS#:2833-29-6 5-ethoxy-5-meth...

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

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...

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

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: Alpha-Angelica lactone
Price: ￥318.0/25g ￥118.0/5g
Purity: 98.0%
Stocking Period: 3 Day
Contact: Liu jia

DC Chemicals Limited
China
Product Name: α-Angelica lactone
Price: $Inquiry/250mg $Inquiry/100mg $Inquiry/1g
Purity: 98.0%
Stocking Period: 3 Day
Contact: Tony Cao

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: alpha-Angelicalactone
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

Henan Tianfu Chemical Co., Ltd.
China
Product Name: alpha-Angelica lactone, 99%
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Stocking Period: Inquiry
Contact: Anson

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