CAS Number54947-74-9
SynonymsFEMA 3575; 4-methyl-octanoicaci; 4-Methyl-n-octanoic Acid; Octanoic acid,4-methyl; EINECS 259-404-2; 4-MethyloCLanoic Acid; 4-Methyl octanoic acid; MFCD00051938; rac-4-methyloctanoic acid; 4-Methyloctanoic acid; 4-Methylcaprylic acid; HIRCINOIC ACID; QV2Y4&1; METHYLOCTANSAEURE,4; FEMA NUMBER 3575; 4-Methyl-octansaeure
Molecular FormulaCH3(CH2)3CH(CH3)CH2CH2CO2H
Molecular Weight158.24
Purity≥98%
Density0.9±0.1 g/cm3
Boiling Point149 °C/22 mmHg (lit.)
Appearanceliquid
EINECS259-404-2
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 54947-74-9 |
| Catalog No. | 2A-9044297 |
| Chinese Name | 4-甲基辛酸 |
| Synonyms | FEMA 3575; 4-methyl-octanoicaci; 4-Methyl-n-octanoic Acid; Octanoic acid,4-methyl; EINECS 259-404-2; 4-MethyloCLanoic Acid; 4-Methyl octanoic acid; MFCD00051938; rac-4-methyloctanoic acid; 4-Methyloctanoic acid; 4-Methylcaprylic acid; HIRCINOIC ACID; QV2Y4&1; METHYLOCTANSAEURE,4; FEMA NUMBER 3575; 4-Methyl-octansaeure |
| Molecular Formula | CH3(CH2)3CH(CH3)CH2CH2CO2H |
| Molecular Weight | 158.24 |
| Purity | ≥98 |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 149 °C/22 mmHg (lit.) |
| Appearance | liquid |
| Storage Condition | Keep the container sealed and stored in a cool, dr |
| Packaging | III |
| Application | 4-Methyloctanoic acid is a natural compound primarily responsible for the characteristic goaty flavor of sheep and goat's milk. |
| EINECS | 259-404-2 |
| HTC | 2915900090 |
| PubChem ID | 24901789 |
| MDL Number | MFCD00051938 |
| SMILES | CCCCC(C)CCC(O)=O |
| InChI | 1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11) |
| InChI Key | LEGGANXCVQPIAI-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12164502 |
| Hazard Symbols | 8 |
| Bioactivity | 4-Methyloctanoic acid is a natural compound mainly responsible for the characteristic goaty sheepy flavour of sheep and goat milk[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Teng F, et al. Effects of season and industrial processes on volatile 4-alkyl-branched chain fatty acids in sheep milk. Food Chem. 2018 Sep 15;260:327-335. Chemical & Physical Properties Density 0.9±0.1 g/cm3 Boiling Point 253.4±8.0 °C at 760 mmHg Molecular Formula C9H18O2 Molecular Weight 158.238 Flash Point 129.7±6.9 °C Exact Mass 158.130676 PSA 37.30000 LogP 3.25 Vapour Pressure 0.0±1.1 mmHg at 25°C Index of Refraction 1.439 InChIKey LEGGANXCVQPIAI-UHFFFAOYSA-N SMILES CCCCC(C)CCC(=O)O Storage condition −20°C |
| Use of | 4-Methyloctanoic acid is a natural compound mainly responsible for the characteristic goaty sheepy flavour of sheep and goat milk[1]. Properties Name 4-Methyloctanoic acid Synonym More Synonyms 4-Methylcaprylic acid Biological Activity Description 4-Methyloctanoic acid is a natural compound mainly responsible for the characteristic goaty sheepy flavour of sheep and goat milk[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Teng F, et al. Effects of season and industrial processes on volatile 4-alkyl-branched chain fatty acids in sheep milk. Food Chem. 2018 Sep 15;260:327-335. Chemical & Physical Properties Molecular Formula C9H18O2 Exact Mass 158.130676 PSA 37.30000 Index of Refraction 1.439 InChIKey LEGGANXCVQPIAI-UHFFFAOYSA-N SMILES CCCCC(C)CCC(=O)O |
| Tax Rebate | 9.0% |
| Supervision | A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
| Inspection | R. Imported food hygiene supervision and inspection S. Export food hygiene supervision and inspection M. Imported commodity inspection N. Exported commodity inspection |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: Class 8 Corrosives UN number: 3265 Proper shipping name: Corrosive Liquid, Acidic, Organic, Not Otherwise Specified Packing grade: III |
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