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Merck
CN

W512508

3,7-Dimethyl-2,6-octadienenitrile

mixture of isomers, ≥97%

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About This Item

Linear Formula:
(CH3)2C=CHCH2CH2C(CH3)=CHCN
CAS Number:
5146-66-7
Molecular Weight:
149.23
Flavis number:
16.05
PubChem Substance ID:
24902065
UNSPSC Code:
12164502
EC Number:
225-918-0
MDL number:
MFCD00001926

Key Documents

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InChI key

HLCSDJLATUNSSI-JXMROGBWSA-N

InChI

1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7+

SMILES string

C\C(C)=C\CC\C(C)=C\C#N

biological source

synthetic

assay

≥97%

refractive index

n20/D 1.475 (lit.)

bp

110 °C/1.3 mmHg (lit.)

density

0.853 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

pictograms

Health hazardEnvironment
GHS08,GHS09

signalword

Danger

hcodes

H340,H411

Hazard Classifications

Aquatic Chronic 2 - Muta. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
04131AR

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Tetyana Kobets et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 115, 228-243 (2018-03-20)
Genotoxicity of flavor and fragrance materials was assessed in Turkey Egg Genotoxicity Assay (TEGA) using 32P-nucleotide postlabeling (NPL) and comet assays to detect hepatic DNA adducts and strand breaks. Twenty materials having results in GADD45a-Gluc 'BlueScreen HC' genotoxicity assay, and

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