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75012

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3-Propylidenephthalide

mixture of isomers, analytical standard

Synonyme(s) :

3-Propylidene-1(3H)-isobenzofuranone

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About This Item

Formule empirique (notation de Hill):
C11H10O2
Numéro CAS:
Poids moléculaire :
174.20
Numéro CE :
Numéro MDL:
Code UNSPSC :
85151701
ID de substance PubChem :
Nomenclature NACRES :
NA.24

Qualité

analytical standard

Niveau de qualité

Pureté

≥97.0% (sum of isomers, GC)

Durée de conservation

limited shelf life, expiry date on the label

Indice de réfraction

n20/D 1.579-1.590
n20/D 1.586 (lit.)

Point d'ébullition

170 °C/12 mmHg (lit.)

Pf

5 °C (lit.)

Densité

1.122 g/mL at 25 °C (lit.)

Application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

Format

neat

Température de stockage

2-8°C

Chaîne SMILES 

CC\C=C1/OC(=O)c2ccccc12

InChI

1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5-

Clé InChI

NGSZDVVHIGAMOJ-YHYXMXQVSA-N

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Description générale

3-Propylidenephthalide, a substituted alkyldenephthalide, is a flavoring ingredient. It is typically added as a food additive. 3-Propylidenephthalide belongs to chemical group 11, called ‘alicyclic and aromatic lactones′.

Application

3-Propylidenephthalide may be used as an analytical standard for the determination of the analyte in cosmetics and personal care products, tobacco products, and biological samples by various chromatography techniques.

Remarque sur l'analyse

remarks on GC: main isomer ≥97%

Produits recommandés

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Pictogrammes

Exclamation mark

Mention d'avertissement

Warning

Mentions de danger

Classification des risques

Acute Tox. 4 Oral - Skin Sens. 1B

Code de la classe de stockage

10 - Combustible liquids

Classe de danger pour l'eau (WGK)

WGK 3

Point d'éclair (°F)

235.4 °F - closed cup

Point d'éclair (°C)

113 °C - closed cup


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Retrouvez la documentation relative aux produits que vous avez récemment achetés dans la Bibliothèque de documents.

Consulter la Bibliothèque de documents

An overview of the effects of tobacco ingredients on smoke chemistry and toxicity
Baker RR, et al.
Food And Chemical Toxicology, 42(2), 53-83 (2004)
Comparative sensitizing potencies of fragrances, preservatives, and hair dyes
Liden C, et al.
Contact Dermatitis, 75(5), 265-275 (2016)
Scientific Opinion on the safety and efficacy of alicyclic and aromatic lactones (chemical group 11) when used as flavourings for all animal species
EFSA Panel on Additives and Products or Substances used in Animal Feed (FEEDAP)
EFSA Journal, 10(3), 2622-2622 (2012)
Vinyl aromatic compounds. VI. Alkylidenephthalides and related compounds
Mowry DT, et al.
Journal of the American Chemical Society, 71(1), 120-122 (1949)
Data integration of non-animal tests for the development of a test battery to predict the skin sensitizing potential and potency of chemicals
Nukada Y, et al.
Toxicology in vitro, 27(2), 609-618 (2013)

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