4-Methyloctanoic Acid
Product Description
Product Detail
	
| 
					 Product Name:  | 
				
					 4-Methyloctanoic acid  | 
			
| 
					 Synonyms:  | 
				
					 FEMA 3575;FEMA NUMBER 3575;HIRCINOIC ACID;4-METHYLOCTANOIC ACID 98+%;METHYLOCTANSAEURE, 4-;4-Methyl-n-octanoic Acid;(4S)-4-methyloctanoate;4-MethyloCLanoic Acid  | 
			
| 
					 CAS:  | 
				
					 54947-74-9  | 
			
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					 MF:  | 
				
					 C9H18O2  | 
			
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					 MW:  | 
				
					 158.24  | 
			
| 
					 EINECS:  | 
				
					 259-404-2  | 
			
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					 Product Categories:  | 
				
					 API intermediates;acid Flavor;Alphabetical Listings;Flavors and Fragrances;M-N  | 
			
| 
					 Mol File:  | 
				
					 54947-74-9.mol  | 
			
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| 
					 Melting point  | 
				
					 -29.5°C (estimate)  | 
			
| 
					 Boiling point  | 
				
					 149 °C22 mm Hg(lit.)  | 
			
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					 density  | 
				
					 0.91 g/mL at 25 °C(lit.)  | 
			
| 
					 FEMA  | 
				
					 3575 | 4-METHYLOCTANOIC ACID  | 
			
| 
					 refractive index  | 
				
					 n20/D 1.433(lit.)  | 
			
| 
					 Fp  | 
				
					 >230 °F  | 
			
| 
					 storage temp.  | 
				
					 −20°C  | 
			
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					 pka  | 
				
					 4.78±0.10(Predicted)  | 
			
| 
					 JECFA Number  | 
				
					 271  | 
			
| 
					 BRN  | 
				
					 1755426  | 
			
| 
					 InChIKey  | 
				
					 LEGGANXCVQPIAI-UHFFFAOYSA-N  | 
			
| 
					 CAS DataBase Reference  | 
				
					 54947-74-9(CAS DataBase Reference)  | 
			
| 
					 NIST Chemistry Reference  | 
				
					 4-Methyloctanoic acid(54947-74-9)  | 
			
| 
					 EPA Substance Registry System  | 
				
					 4-Methyloctanoic acid (54947-74-9)  | 
			
	
	
| 
					 Hazard Codes  | 
				
					 C,Xi,Xn  | 
			
| 
					 Risk Statements  | 
				
					 34-36/37/38-21/22  | 
			
| 
					 Safety Statements  | 
				
					 26-36/37/39-45  | 
			
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					 RIDADR  | 
				
					 UN 3265 8/PG 3  | 
			
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					 WGK Germany  | 
				
					 1  | 
			
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					 TSCA  | 
				
					 Yes  | 
			
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					 HS Code  | 
				
					 2915 90 70  | 
			
| 
					 HazardClass  | 
				
					 8  | 
			
| 
					 PackingGroup  | 
				
					 III  | 
			
	
	
| 
					 Description  | 
				
					 4-Methyloctanoic acid has a fatty, musty, plastic odor.  | 
			
| 
					 Chemical Properties  | 
				
					 4-Methyloctanoic acid has a fatty, musty, plastic odor. This compound is also reported to have a goat, costus, mutton odor  | 
			
| 
					 Chemical Properties  | 
				
					 Colorless liquid  | 
			
| 
					 Aroma threshold values  | 
				
					 Aroma characteristics at 1.0% in PG: waxy, fatty, meaty, reheated beef-like with a slightly lactonic cheesy nuance  | 
			
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					 Taste threshold values  | 
				
					 Taste characteristics at 10 ppm: fatty, waxy, creamy and lactonic with a satiating fatty mouthfeel and metallic nuances.  |