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Safety Information

W329304

Sigma-Aldrich

α-Angelica lactone

98%, FG

Synonym(s):

4-Hydroxy-3-pentenoic acid γ-lactone, 5-Methyl-2(3H)-furanone

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About This Item

Empirical Formula (Hill Notation):
C5H6O2
CAS Number:
Molecular Weight:
98.10
FEMA Number:
3293
Beilstein:
108394
EC Number:
Council of Europe no.:
731
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
10.012
NACRES:
NA.21

biological source

synthetic

Quality Level

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

Signal Word

Warning

Hazard Statements

Hazard Classifications

Skin Sens. 1

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

154.4 °F - closed cup

Flash Point(C)

68 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

W329304-1KG:
W329304-VAR-K:
W329304-SAMPLE-K:
W329304-250G:
W329304-250G-K:4548173337388
W329304-100G-K:4548173337364
W329304-BULK-K:
W329304-1KG-K:4548173337371
W329304-100G:
W329304-SAMPLE:


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
Lin Zhou et al.
Organic letters, 13(12), 3056-3059 (2011-05-21)
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 demonstrated that the nonactivated natural α-angelica lactone is a useful vinylogous nucleophile to give the chiral
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

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