3-(3,5-DIMETHYLISOXAZOL-4-YL)PROPANOIC ACID

Modify Date: 2025-08-26 08:41:06

3-(3,5-DIMETHYLISOXAZOL-4-YL)PROPANOIC ACID Structure
3-(3,5-DIMETHYLISOXAZOL-4-YL)PROPANOIC ACID structure
Common Name 3-(3,5-DIMETHYLISOXAZOL-4-YL)PROPANOIC ACID
CAS Number 116423-07-5 Molecular Weight 168.170
Density 1.191 g/cm3 Boiling Point 330.9±37.0 °C at 760 mmHg
Molecular Formula C8H10NO3 Melting Point N/A
MSDS N/A Flash Point 153.9±26.5 °C

 Names

Name 3-(3,5-Dimethyl-isoxazol-4-yl)-propionic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.191 g/cm3
Boiling Point 330.9±37.0 °C at 760 mmHg
Molecular Formula C8H10NO3
Molecular Weight 168.170
Flash Point 153.9±26.5 °C
Exact Mass 168.066620
PSA 63.33000
LogP 0.62
Vapour Pressure 0.0±0.8 mmHg at 25°C
InChIKey KSKLKJYVYVPIFW-UHFFFAOYSA-N
SMILES Cc1noc(C)c1CCC(=O)O
Storage condition 2-8°C

 Safety Information

Hazard Codes Xi: Irritant;
HS Code 2934999090

 Synthetic Route

~80%

3-(3,5-DIMETHYLISOXAZOL-4-YL)PROPANOIC ACID Structure

3-(3,5-DIMETHYL...

CAS#:116423-07-5

Literature: Ceccherelli, Paolo; Curini, Massimo; Marcotullio, Maria Carla; Rosati, Ornelio; Wenkert, Ernest Journal of Organic Chemistry, 1994 , vol. 59, # 10 p. 2882 - 2884

~%

3-(3,5-DIMETHYLISOXAZOL-4-YL)PROPANOIC ACID Structure

3-(3,5-DIMETHYL...

CAS#:116423-07-5

Literature: Journal of Organic Chemistry, , vol. 59, # 10 p. 2882 - 2884

~%

3-(3,5-DIMETHYLISOXAZOL-4-YL)PROPANOIC ACID Structure

3-(3,5-DIMETHYL...

CAS#:116423-07-5

Literature: Journal of Organic Chemistry, , vol. 59, # 10 p. 2882 - 2884

~%

3-(3,5-DIMETHYLISOXAZOL-4-YL)PROPANOIC ACID Structure

3-(3,5-DIMETHYL...

CAS#:116423-07-5

Literature: Annales de Chimie (Cachan, France), , vol. <7> 26, p. 305 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 132, p. 697

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

4-Isoxazolepropanoic acid, 3,5-dimethyl-, ion(1-)
3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid
3-(3,5-Dimethylisoxazol-4-yl)propanoic acid
3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanoate
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