Ethyl octanoate

Name: Ethyl octanoate
Brand: MM

for synthesis

Synonym(s):

Ethyl octanoate, Ethyl caprylate, Octanoic acid ethyl ester

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About This Item

Linear Formula:

CH₃(CH₂)₆COOC₂H₅

CAS Number:

106-32-1

Molecular Weight:

172.26

MDL number:

MFCD00009552

UNSPSC Code:

12352108

EC Index Number:

203-385-5

NACRES:

NA.22

Key Documents

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vapor pressure

0.2 hPa ( 20 °C)

Quality Level

200

Assay

≥98.0% (GC)

form

liquid

autoignition temp.

325 °C

potency

25960 mg/kg LD₅₀, oral (Rat)
>5000 mg/kg LD₅₀, skin (Rabbit)

expl. lim.

0.7 % (v/v)

bp

208 °C/1013 hPa

mp

-47 °C

transition temp

flash point 79 °C

density

0.87 g/cm³ at 20 °C

storage temp.

2-30°C

SMILES string

O(CC)C(=O)CCCCCCC

InChI

1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3

InChI key

YYZUSRORWSJGET-UHFFFAOYSA-N

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Show Differences

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This Item	8.14927	260673	21719
Sigma-Aldrich 8.00202 Ethyl octanoate	Sigma-Aldrich 8.14927 Methyl octanoate	Sigma-Aldrich 260673 Methyl octanoate	Supelco 21719 Methyl octanoate
assay ≥98.0% (GC)	assay ≥98.0% (GC)	assay 99%	assay ≥99.8% (GC)
mp -47 °C	mp -40 °C	mp -	mp -
density 0.87 g/cm³ at 20 °C	density 0.877 g/cm³ at 20 °C	density 0.877 g/mL at 25 °C (lit.)	density 0.877 g/mL at 20 °C (lit.)
bp 208 °C/1013 hPa	bp 193 °C/1013 hPa	bp 194-195 °C (lit.)	bp 193-194 °C (lit.)
vapor pressure 0.2 hPa ( 20 °C)	vapor pressure 1.33 hPa ( 34.2 °C)	vapor pressure -	vapor pressure -
form liquid	form liquid	form liquid	form -

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.865 - 0.867
Identity (IR): passes test

Hazard Classifications

Aquatic Chronic 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

167.0 °F - closed cup

Flash Point(C)

75 °C - closed cup

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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