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W329304

Sigma-Aldrich

α-Angelica lactone

98%, FG

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Synonym(s):
4-Hydroxy-3-pentenoic acid γ-lactone, 5-Methyl-2(3H)-furanone
Empirical Formula (Hill Notation):
C5H6O2
CAS Number:
591-12-8
Molecular Weight:
98.10
FEMA Number:
3293
Beilstein:
108394
EC Number:
209-701-8
Council of Europe no.:
731
MDL number:
MFCD00005375
UNSPSC Code:
12164502
PubChem Substance ID:
24901616
Flavis number:
10.012
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002

Assay

98%

refractive index

n20/D 1.448 (lit.)

bp

55-56 °C/12 mmHg (lit.)

mp

13-17 °C (lit.)

density

1.092 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

coconut; oily; sweet

SMILES string

CC1=CCC(=O)O1

InChI

1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3

InChI key

QOTQFLOTGBBMEX-UHFFFAOYSA-N

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General description

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

Packaging

Packaged in glass bottles

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H317

Hazard Classifications

Skin Sens. 1

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Chemical composition and carcinogenicity of smokeless tobacco.
Hoffmann D & Djordjevic MV.
Advances in Dental Research, 11(3), 322-329 (1997)
Efficient conversion of ?-angelica lactone into ?-valerolactone with ionic liquids at room temperature
Cao R, et al.
ACS sustainable chemistry & engineering, 2(4), 902-909 (2014)
W A Nijhoff et al.
Carcinogenesis, 16(3), 607-612 (1995-03-01)
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 effects on oesophageal, gastric, intestinal, colonic and hepatic (i) glutathione S-transferase (GST) enzyme
Y M Ioannou et al.
Cancer research, 42(4), 1199-1204 (1982-04-01)
The effects of alpha-angelica lactone (alpha-AL), butylated hydroxyanisole (BHA), and beta-naphthoflavone (beta-NF) on the amount of benzo(alpha)pyrene (BP) metabolite:DNA adducts formed in the forestomach, lung, and liver of ICR/Ha mice were investigated 48 hr after p.o. administration of BP. BP
Xin Huang et al.
Chemical communications (Cambridge, England), 48(18), 2439-2441 (2012-01-24)
The first organocatalytic asymmetric assembly of Morita-Baylis-Hillman carbonates of isatins and α-angelica lactone has been studied, affording multifunctional products containing two valuable pharmacophores and vicinal quaternary chiral centers in high stereoselectivity (up to 92% ee, dr >95:5).
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