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α-Angelica lactone

α-Angelica lactone structure

CAS No:
591-12-8
Formula:
C5H6O2
Chemical Name:
α-Angelica lactone
Synonyms:
2(3H)-Furanone,5-methyl-;3-Pentenoic acid,4-hydroxy-,γ-lactone;5-Methyl-2(3H)-furanone;α-Angelica lactone;4-Hydroxypent-3-enoic acid lactone;β,γ-Angelica lactone;Δ2-Angelica lactone;4-Hydroxy-3-pentenoic acid γ-lactone;5-Methyl-2,3-dihydro-2-furanone;5-Methylfuran-2(3H)-one;2-Oxo-5-methyl-2,3-dihydrofuran;γ-Angelica lactone;NSC 654;Pent-3-en-4-olide;2,3-Dihydro-5-methylfuran-2-one
Categories:
Cosmetic Ingredient > Perfuming

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].

Alpha-angelica lactone is an angelica lactone and a butenolide. It derives from a but-3-en-4-olide. It is a tautomer of a beta-angelica lactone.

α-Angelica lactone Basic Attributes

Molecular Weight：

98.09990

Exact Mass：

98.10

EC Number：

209-701-8

UNII：

29CRF6L9C5

NSC Number：

654

DSSTox ID：

DTXSID7047693

HScode：

2932209090

Characteristics

PSA：

26.30000

XLogP3：

0.83710

Appearance：

clear, light to dark yellow liquid with a sweet herbaceous odour reminiscent of tobacco

Density：

1.091 g/cm³ @ Temp: 20.44 °C

Melting Point：

18 °C

Boiling Point：

55-56 °C @ Press: 13 Torr

Flash Point：

68ºC

Refractive Index：

1.445-1.45

Water Solubility：

H2O: 5 g/100 mL (25 ºC)

Storage Conditions：

2-8ºC

Toxicity：

LD50 orl-mus: 2800 mg/kg DCTODJ 3,249,80

OH：

6.90e-11 cm3/molecule*sec

Safety Information

Transport codes：

NA 1993 / PGIII

wgk germany：

safety instructions：

S24/25

RTECS Number：

LU5075000

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210, P280, P370+P378, P403+P235, P501

Hazard Statements：

H227

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 1556 companies from 4 notifications to the ECHA C&L Inventory.|H227: Combustible liquid [Warning Flammable liquids]|P210, P280, P370+P378, P403+P235, and P501

Drug Information

MeSH Entry Terms：

alpha-angelicalactone

α-Angelica lactone Use and Manufacturing

Uses

It is commonly used in daily cosmetics and soap essences such as violets, suzurans, sunflowers and orchids. The United States does not allow use in food. Product quality: melting point ≥69℃.

Manufacturing Info：

2(3H)-Furanone, 5-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:98.10
XLogP3:0.6
Hydrogen Bond Acceptor Count:2
Exact Mass:98.036779430
Monoisotopic Mass:98.036779430
Topological Polar Surface Area:26.3
Heavy Atom Count:7
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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α-Angelica lactone

Unit Price: $550-560 /KG EXW

CAS No.: 591-12-8

Grade: Industrial Grade

Content: 98%

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alpha-Angelicalactone 98% Purity Lactone Flavor Standard CAS 591-12-8 Research Grade Reference Standard

Unit Price: $300-310 /G FOB

CAS No.: 591-12-8

Grade: Analytical Reagent

Content: 99%

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Guide of α-Angelica lactone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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α-Angelica lactone

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