α-Angelicalactone - ≥95%, mixture of isomers , CAS No.591-12-8

CAS: 591-12-8 Cat. No.: A151155 Formula: C5H6O2 Molecular Weight: 98.1 Beilstein Registry Number: 108394 EC Number: 209-701-8
AVAILABLE TO ORDER
GRADE & PURITY ≥95% mixture of isomers
Synonyms
.DELTA.2-Angelica lactone | UNII-29CRF6L9C5 | 4-Hydroxy-3-pentenoic acid .gamma.-lactone | 4-Methyl-2(3H)-furanone | MFCD00005375 | W-105341 | .gamma.-Methyl-.beta.,.gamma.-crotonolactone | AKOS015866998 | 4-Hydroxy-3-pentenoic acid ?-lactone | alpha-Ange
Storage
Argon charged,Room temperature
Shipped In
Normal
★
Size
USA
Germany (EU)*
Price
Qty
5g
A151155-5g
5 In stock
—
$21.90
25g
A151155-25g
1 In stock
—
$74.90
100g
A151155-100g
2 In stock
—
$209.90
500g
A151155-500g
2 In stock
—
$679.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥95%, mixture of isomers for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

α-Angelica lactone, a cyclic lactone that occurs naturally in tobacco, is generally used in tobacco flavoring.

Specifications

Synonyms
.DELTA.2-Angelica lactone | UNII-29CRF6L9C5 | 4-Hydroxy-3-pentenoic acid .gamma.-lactone | 4-Methyl-2(3H)-furanone | MFCD00005375 | W-105341 | .gamma.-Methyl-.beta.,.gamma.-crotonolactone | AKOS015866998 | 4-Hydroxy-3-pentenoic acid ?-lactone | alpha-Ange
Specifications & Purity
≥95%, mixture of isomers
Biochemical and Physiological Mechanisms
Plant-derived cancer chemopreventive agent. Increases the synthesis of glutathione and the activity of glutathione-S-transferase and UDP-glucunonosyltransferase detoxification enzymes in esophagus, stomach, intestine, and liver.
Storage
Argon charged,Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488181376
Canonical Smiles
CC1=CCC(=O)O1
IUPAC Name
5-methyl-3H-furan-2-one
InChIKey
QOTQFLOTGBBMEX-UHFFFAOYSA-N
INCHI
1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
Isomeric SMILES
CC1=CCC(=O)O1
WGK Germany
2
RTECS
LU5075000
Molecular Weight
98.1
Beilstein
108394
Reaxy-Rn
108394
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108394&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDihydrofurans
SubclassFuranones
Intermediate Tree Nodes Not available
Direct ParentButenolides
Alternative Parents Enol esters  Lactones  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents 2-furanone - Enol ester - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.
External Descriptors butenolide - angelica lactone
3D Structure
Interactive Chemical Structure Model





Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot NumberCertificate TypeDateItem
F23171003Certificate of AnalysisJul 05, 2023 A151155
F23171005Certificate of AnalysisJul 05, 2023 A151155
F23171011Certificate of AnalysisJul 05, 2023 A151155
E2627045Certificate of AnalysisJul 04, 2023 A151155
F23171001Certificate of AnalysisJul 04, 2023 A151155
F23171034Certificate of AnalysisJul 04, 2023 A151155
F2317997Certificate of AnalysisJul 04, 2023 A151155
F2317999Certificate of AnalysisJul 04, 2023 A151155
F2317998Certificate of AnalysisJun 09, 2023 A151155
Chemical and Physical Properties
SolubilitySoluble in water (5g/100mL) and alcohol.
SensitivityMoisture sensitive.
Refractive Index1.45
Flash Point(°F)154.4 °F
Flash Point(°C)68 °C
Boil Point(°C)56 °C/12 mmHg
Melt Point(°C)16 °C
Molecular Weight98.100 g/mol
XLogP30.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass98.0368 Da
Monoisotopic Mass98.0368 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count7
Formal Charge0
Complexity124.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

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