CAS Number4536-23-6
SynonymsCARBOXYLIC ACID C7; rac-2-methylhexanoic acid; R-2-methyl hexanoic acid; 2-methyl-hexanoicaci; a-Methylcaproic acid; 2-hexanecarboxylicacid; 2-Methylcaproic acid; (±)-2-methylhexanoic acid; MFCD00002674; EINECS 224-883-9
Molecular FormulaCH3(CH2)3CH(CH3)COOH
Molecular Weight130.18
Purity99%
Density0.918 g/mL at 25 °C(lit.)
Boiling Point209-210 °C (lit.)
Melting Point209-210 °C
Appearanceliquid
EINECS224-883-9
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4536-23-6 |
| Catalog No. | 2A-9031006 |
| Chinese Name | 2-甲基己酸 |
| Synonyms | CARBOXYLIC ACID C7; rac-2-methylhexanoic acid; R-2-methyl hexanoic acid; 2-methyl-hexanoicaci; a-Methylcaproic acid; 2-hexanecarboxylicacid; 2-Methylcaproic acid; (±)-2-methylhexanoic acid; MFCD00002674; EINECS 224-883-9 |
| Molecular Formula | CH3(CH2)3CH(CH3)COOH |
| Molecular Weight | 130.18 |
| Purity | 99 |
| Density | 0.918 g/mL at 25 °C(lit.) |
| Boiling Point | 209-210 °C (lit.) |
| Melting Point | 209-210 °C |
| Appearance | liquid |
| Storage Condition | Store at room temperature, away from light, in a v |
| Packaging | III |
| Application | 2-methylhexanoic acid is a medium-chain fatty acid that can be used as a flavoring. |
| EINECS | 224-883-9 |
| HTC | 29159080 |
| PubChem ID | 24860532 |
| MDL Number | MFCD00002674 |
| SMILES | CCCCC(C)C(O)=O |
| InChI | 1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9) |
| InChI Key | CVKMFSAVYPAZTQ-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1721227 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 8 |
| MSDS | msds/31006_2_4536_23_6.pdf |
| Bioactivity | 2-methylhexanoic acid is a medium-chain fatty acid and is used as flavouring[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Api AM, et al. RIFM fragrance ingredient safety assessment, 2-methylhexanoic acid, CAS Registry Number 4536-23-6. Food Chem Toxicol. 2018 Sep;118 Suppl 1:S201-S209. Chemical & Physical Properties Density 0.918 g/mL at 25 °C(lit.) Boiling Point 209-210 °C(lit.) Melting Point 209-210 °C Molecular Formula C7H14O2 Molecular Weight 130.18500 Flash Point 222 °F Exact Mass 130.09900 PSA 37.30000 LogP 1.89730 Index of Refraction n20/D 1.422(lit.) InChIKey CVKMFSAVYPAZTQ-UHFFFAOYSA-N SMILES CCCCC(C)C(=O)O |
| Use of | 2-methylhexanoic acid is a medium-chain fatty acid and is used as flavouring[1]. Properties Name 2-Methylhexanoic acid Synonym More Synonyms 2-Methylhexanoic acid Biological Activity Description 2-methylhexanoic acid is a medium-chain fatty acid and is used as flavouring[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Api AM, et al. RIFM fragrance ingredient safety assessment, 2-methylhexanoic acid, CAS Registry Number 4536-23-6. Food Chem Toxicol. 2018 Sep;118 Suppl 1:S201-S209. Chemical & Physical Properties Molecular Formula C7H14O2 Exact Mass 130.09900 PSA 37.30000 LogP 1.89730 InChIKey CVKMFSAVYPAZTQ-UHFFFAOYSA-N SMILES CCCCC(C)C(=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 | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3265 International Maritime Danger Regulations: 3265 International Air Transport Danger Regulations: 3265 14.2 United Nations shipping name European Land Transport Dangerous Regulations: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (2-Methylhexanoic acid) IMDG: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (2-Methylhexanoic acid) International air transport hazard regulations: Corrosive liquid, acidic, organic, n.o.s. (2-Methylhexanoic acid) 14.3 Transport hazard categories European Dangerous Regulations for land transport: 8 International Dangerous Regulations for sea transport: 8 International Dangerous Regulations for air transport: 8 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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