Octyl cyanoacetate

Basic Information

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CAS Number

15666-97-4

Molecular Formula

C11H19NO2

Molecular Weight

186.3 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 Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

95 °C/0.11 mmHg

Refractive Index

n20/D 1.449(lit.)

SMILES

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CCCCCCCCOC(=O)CC#N

InChI

InChI=1S/C11H19NO2/c1-2-3-4-5-6-7-10-14-11(13)8-9-12/h2-8,10H2,1H3

InChIKey

MBCTWXWDQMXVDF-UHFFFAOYSA-N

LogP

3.3001000000000023

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

193

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class 6.(b) Class 6.(b)

Synonyms & References

English

Acetic acid, 2-cyano-, octyl ester
SY037984
DTXSID30402694
Cyanoacetic acid, octyl ester
AKOS015843130
BCP12781
2-cyanoacetic acid octyl ester
CS-0152152
octylcyanoacetate
Octyl cyanoacetate
FT-0659706
A809762
AS-19997
J-009330
n-Octyl cyanoacetate
octyl 2-cyanoethanoate
15666-97-4
SCHEMBL634649
Octyl 2-cyanoacetate
Acetic acid, cyano-, octyl ester
Octyl cyanoacetate, 99%
MFCD00075425
octyl cyanoacetate
Aceticacid, cyano-, octyl ester (7CI,8CI,9CI)
Octylcyanoacetate
MBCTWXWDQMXVDF-UHFFFAOYSA-N
AK161756
octyl2-cyanoacetate
Acetic acid, 2-cyano-,octyl ester
RL02018
AX814532

MDL Number

MFCD00075425

Customs Code

2926909090

FAQ

What regulatory guidelines apply to Octyl cyanoacetate (CAS: 15666-97-4)?

Octyl cyanoacetate (CAS: 15666-97-4) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is subject to strict regulations under the REACH legislation in the European Union. It must comply with FDA and EPA standards for its production, transportation, and disposal. Specific handling and storage guidelines are required to ensure safety and environmental protection.

Are there alternatives to Octyl cyanoacetate (CAS: 15666-97-4) in synthesis?

Several alternatives to Octyl cyanoacetate can be used in synthesis, including nonyl cyanoacetate and other alkyl cyanoacetates which offer similar properties. Other potential substitutes include esters and amides that can serve as functional equivalents in various applications, depending on the specific requirements of the synthesis process.

What is the market or research trend for Octyl cyanoacetate (CAS: 15666-97-4)?

The market for Octyl cyanoacetate (CAS: 15666-97-4) is influenced by its use in cosmetics, pharmaceuticals, and industrial applications. Research trends focus on developing more sustainable and biodegradable alternatives. Recent studies explore its use in fragrance compositions and as a solvent in the formulation of personal care products. Environmental concerns are driving the demand for safer and eco-friendlier chemicals.

How should waste containing Octyl cyanoacetate (CAS: 15666-97-4) be handled?

Waste containing Octyl cyanoacetate (CAS: 15666-97-4) should be collected in appropriate containers and stored in a designated area to prevent environmental contamination. The waste should be neutralized if necessary and then disposed of through a licensed hazardous waste facility. Incineration is a common method for disposal, and environmental protection measures should be taken to ensure compliance with local regulations and minimize environmental impact.