CAS 13361-34-7

Acetic acid, 2-cyano-, 2-ethylhexyl ester

Description:

Acetic acid, 2-cyano-, 2-ethylhexyl ester, also known by its CAS number 13361-34-7, is an organic compound characterized by its ester functional group. This substance features a cyano group (-CN) attached to the acetic acid moiety, which contributes to its reactivity and potential applications in organic synthesis. The presence of the 2-ethylhexyl group enhances its hydrophobic properties, making it more soluble in organic solvents than in water. Typically, esters like this compound are known for their fruity odors and are often used in flavoring and fragrance applications. Additionally, the cyano group can impart unique chemical properties, such as increased polarity and the ability to participate in nucleophilic reactions. This compound may also exhibit moderate toxicity, necessitating careful handling and storage. Its applications can extend to the fields of plastics, coatings, and as intermediates in chemical synthesis. Overall, acetic acid, 2-cyano-, 2-ethylhexyl ester is a versatile compound with significant industrial relevance.

Formula: C₁₁H₁₉NO₂

InChI: InChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3

InChI key: InChIKey=ZNYBQVBNSXLZNI-UHFFFAOYSA-N

SMILES: C(COC(CC#N)=O)(CCCC)CC

Synonyms:

• (2R)-2-ethylhexyl cyanoacetate
• (2S)-2-ethylhexyl cyanoacetate
• 2-Ethylhexyl 2-cyanoacetate
• 2-Ethylhexyl cyanoacetate
• Acetic acid, cyano-, 2-ethylhexyl ester
• Ai3-07380
• Cyanoacetic acid, 2-ethylhexyl ester
• Nsc 69963
• Acetic acid, 2-cyano-, 2-ethylhexyl ester

2-Ethylhexyl 2-cyanoacetate

CAS: 13361-34-7

Formula: C₁₁H₁₉NO₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 197.2741

Ref: IN-DA003B7U

2-Ethylhexyl 2-cyanoacetate

CAS: 13361-34-7

2-Ethylhexyl 2-cyanoacetate

Purity: 98%

Molecular weight: 197.27g/mol

Ref: 54-OR79283

2-Ethylhexyl Cyanoacetate

CAS: 13361-34-7

Formula: C₁₁H₁₉NO₂

Purity: >98.0%(GC)

Color and Shape: Colorless to Light yellow clear liquid

Molecular weight: 197.28

Ref: 3B-C1384

2-Ethylhexyl Cyanoacetate-13C3

Controlled Product

CAS: 13361-34-7

Applications 2-Ethylhexyl Cyanoacetate-13C3 is an intermediate in the synthesis of Octocrylene-13C3 (O239757), which is the labelled form of Octocrylene (O239755). Octocrylene is a UV-A and UV-B filter used in sunscreen and topical drug formulations.
References Lacatusu, I. et al.: Chem. Eng. J., 246, 311 (2014); Allen, J. et al.: Chem. Res. Tox., 9, 605 (1996)

Formula: C₃C₈H₁₉NO₂

Color and Shape: Neat

Molecular weight: 200.252

Ref: TR-E133612

2-Ethylhexyl Cyanoacetate

Controlled Product

CAS: 13361-34-7

Formula: C₁₁H₁₉NO₂

Color and Shape: Neat

Molecular weight: 197.274

Ref: TR-E244720

2-Ethylhexyl cyanoacetate

CAS: 13361-34-7

Formula: C₁₁H₁₉NO₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 197.278

Ref: 10-F494151

Octocrylene Impurity 1

CAS: 13361-34-7

Formula: C₁₁H₁₉NO₂

Molecular weight: 197.28

Ref: ST-EA-CP-O48001