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Merck

75012

Supelco

3-Propylidenphthalid

mixture of isomers, analytical standard

Synonym(e):

3-Propyliden-1(3H)-isobenzofuranon

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About This Item

Empirische Formel (Hill-System):
C11H10O2
CAS-Nummer:
Molekulargewicht:
174.20
EG-Nummer:
MDL-Nummer:
UNSPSC-Code:
85151701
PubChem Substanz-ID:
NACRES:
NA.24

Qualität

analytical standard

Qualitätsniveau

Assay

≥97.0% (sum of isomers, GC)

Haltbarkeit

limited shelf life, expiry date on the label

Brechungsindex

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

bp

170 °C/12 mmHg (lit.)

mp (Schmelzpunkt)

5 °C (lit.)

Dichte

1.122 g/mL at 25 °C (lit.)

Anwendung(en)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

Format

neat

Lagertemp.

2-8°C

SMILES String

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-

InChIKey

NGSZDVVHIGAMOJ-YHYXMXQVSA-N

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Allgemeine Beschreibung

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′.

Anwendung

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.

Hinweis zur Analyse

remarks on GC: main isomer ≥97%

Empfohlene Produkte

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.

Piktogramme

Exclamation mark

Signalwort

Warning

H-Sätze

Gefahreneinstufungen

Acute Tox. 4 Oral - Skin Sens. 1B

Lagerklassenschlüssel

10 - Combustible liquids

WGK

WGK 3

Flammpunkt (°F)

235.4 °F - closed cup

Flammpunkt (°C)

113 °C - closed cup


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Die Dokumentenbibliothek aufrufen

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)
Vinyl aromatic compounds. VI. Alkylidenephthalides and related compounds
Mowry DT, et al.
Journal of the American Chemical Society, 71(1), 120-122 (1949)
Comparative sensitizing potencies of fragrances, preservatives, and hair dyes
Liden C, et al.
Contact Dermatitis, 75(5), 265-275 (2016)
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)
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)

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