Ethyl 2-bromooctanoate

Basic Information

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CAS Number

5445-29-4

Molecular Formula

C10H19BrO2

Molecular Weight

251.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

137-140 °C/25 mmHg

Refractive Index

n20/D 1.452(lit.)<br />n20/D 1.453

SMILES

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CCCCCCC(C(=O)OCC)Br

InChI

InChI=1S/C10H19BrO2/c1-3-5-6-7-8-9(11)10(12)13-4-2/h9H,3-8H2,1-2H3

InChIKey

JIQJOKSCSVMZAN-UHFFFAOYSA-N

LogP

3.283400000000002

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

137

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-bromo-octanoic acid ethyl ester
ethyl-2-bromooctanoate
NSC-21989
Ethyl 2-bromocaprylate, 97%
Octanoic acid, 2-bromo-, ethyl ester
5445-29-4
A830190
ethyl alpha-bromocaprylate
Ethyl 2-bromocaprylate
2-bromooctanoic acid ethyl ester
NS00044478
AS-57642
MFCD00042603
ETHYL2-BROMOOCTANOATE
SCHEMBL1007430
a-Bromo-octanoicacidethylester
2-Bromo octanoic acid ethyl ester
Ethyl 2-bromocaprylate, >=97.0% (GC)
FT-0611589
EINECS 226-647-0
Ethyl 2-bromooctanoate
D70580
DTXSID601031644
NSC21989
Octanoic acid, 2-bromoethyl ester
ethyl (RS)-2-bromooctanoate
AKOS015915824
?ETHYL 2-BROMOOCTANOATE
NSC 21989
2-Bromooctanoic acid ethyl ester
α-Bromo-octanoic acid ethyl ester

MDL Number

MFCD00042603

Customs Code

2915900090

FAQ

What regulatory guidelines apply to Ethyl 2-bromooctanoate (CAS: 5445-29-4)?

Ethyl 2-bromooctanoate (CAS: 5445-29-4) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements for safety data sheets, hazard communication, and environmental release control. Ensuring compliance with these guidelines is crucial for handling and transporting the compound.

Are there alternatives to Ethyl 2-bromooctanoate (CAS: 5445-29-4) in synthesis?

While Ethyl 2-bromooctanoate (CAS: 5445-29-4) is a specific reagent, alternatives include bromooctanoic acid ethyl ester or other brominated esters. Researchers often explore these options based on reaction conditions, availability, and cost-effectiveness for their specific synthetic needs.

What is the market or research trend for Ethyl 2-bromooctanoate (CAS: 5445-29-4)?

The market for Ethyl 2-bromooctanoate (CAS: 5445-29-4) reflects increasing interest in functionalized esters for applications like surfactants, pharmaceuticals, and polymer additives. Research trends focus on its synthesis and application in materials science and drug development, driven by advancements in green chemistry and sustainable manufacturing.

How should waste containing Ethyl 2-bromooctanoate (CAS: 5445-29-4) be handled?

Waste containing Ethyl 2-bromooctanoate (CAS: 5445-29-4) should be collected in appropriate containers, labeled with hazard warnings, and disposed of through professional waste disposal services. Incineration and landfilling may be options, subject to local regulations and environmental impact assessments. Proper handling and disposal prevent environmental contamination and ensure safety.