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75012

3-丙亚基-1-异苯并呋喃酮

Name: 3-丙亚基-1-异苯并呋喃酮
Brand: SIAL

mixture of isomers, analytical standard

别名:

3-Propylidene-1(3H)-isobenzofuranone

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关于此项目

经验公式（希尔记法）:

C₁₁H₁₀O₂

化学文摘社编号:

17369-59-4

分子量:

174.20

NACRES:

NA.24

PubChem Substance ID:

329766050

UNSPSC Code:

85151701

EC Number:

241-402-8

MDL number:

MFCD00051813

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属性

grade

analytical standard

Quality Level

100

assay

≥97.0% (sum of isomers, GC)

shelf life

limited shelf life, expiry date on the label

refractive index

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

bp

170 °C/12 mmHg (lit.)

mp

5 °C (lit.)

density

1.122 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

storage temp.

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-

InChI key

NGSZDVVHIGAMOJ-YHYXMXQVSA-N

说明

General description

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.

Analysis Note

remarks on GC: main isomer ≥97%

Other Notes

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.

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pictograms

GHS07

signalword

Warning

hcodes

H302,H317

pcodes

P280 - P301 + P312 + P330 - P302 + P352

Hazard Classifications

Acute Tox. 4 Oral - Skin Sens. 1B

存储类别

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Prediction of skin sensitization potency sub-categories using peptide reactivity data

Wareing B, et al.

Toxicology in vitro, 45(2), 134-145 (2017)

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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全球贸易项目编号

货号	GTIN
333751-1G	04061826750773
75012-1ML	04061832897776