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8.14990

Allyl hexanoate

Name: Allyl hexanoate
Brand: MM

for synthesis

Synonym(s):

Allyl hexanoate, Allyl caproate, Hexanoic acid allyl ester, Caproic acid allyl ester

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About This Item

Empirical Formula (Hill Notation):

C₉H₁₆O₂

CAS Number:

123-68-2

Molecular Weight:

156.22

UNSPSC Code:

12352108

EC Index Number:

204-642-4

NACRES:

NA.22

MDL number:

MFCD00038339

Assay:

≥98.0% (GC)

Form:

liquid

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Properties

Quality Segment

200

assay

≥98.0% (GC)

form

liquid

potency

218 mg/kg LD₅₀, oral (Rat), 300 mg/kg LD₅₀, skin (Rabbit)

transition temp

flash point 74 °C

density

0.887 g/cm³ at 25 °C

storage temp.

2-30°C

SMILES string

O(CC=C)C(=O)CCCCC

InChI

1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3

InChI key

RCSBILYQLVXLJG-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.888 - 0.892
Identity (IR): passes test

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pictograms

GHS06,GHS09

signalword

Danger

hcodes

H301 + H311 - H411

pcodes

P264 - P273 - P280 - P301 + P310 - P302 + P352 + P312 - P361 + P364

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 2

Storage Class

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

wgk

WGK 2

flash_point_f

150.8 °F - closed cup

flash_point_c

66 °C - closed cup

Certificates of Analysis (COA)

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