CAS Number105-43-1
Synonyms3-methyl-n-valeric acid; MFCD00002729; Valericacid,3-methyl; SEC-BUTYLACETIC ACID; 3-methyl-pentanoicaci; FEMA NUMBER 3437; anteisohexanoic acid; 3-Methyl valerate; 3-Methylvaleric Acid; 3-Ethylbutanoic acid; 3-Methylpentanoic acid; EINECS 203-297-7; FEMA 3437
Molecular FormulaCH3CH2CH(CH3)CH2CO2H
Molecular Weight116.16
Purity≥98%
Density0.9±0.1 g/cm3
Boiling Point196-198 °C (lit.)
Melting Point-41 °C
AppearanceColorless liquid with a foul odor
EINECS203-297-7
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 105-43-1 |
| Catalog No. | 2A-9018443 |
| Chinese Name | 3-甲基戊酸 |
| Synonyms | 3-methyl-n-valeric acid; MFCD00002729; Valericacid,3-methyl; SEC-BUTYLACETIC ACID; 3-methyl-pentanoicaci; FEMA NUMBER 3437; anteisohexanoic acid; 3-Methyl valerate; 3-Methylvaleric Acid; 3-Ethylbutanoic acid; 3-Methylpentanoic acid; EINECS 203-297-7; FEMA 3437 |
| Molecular Formula | CH3CH2CH(CH3)CH2CO2H |
| Molecular Weight | 116.16 |
| Purity | ≥98 |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 196-198 °C (lit.) |
| Melting Point | -41 °C |
| Appearance | Colorless liquid with a foul odor |
| Water Solubility | insoluble |
| Storage Condition | Store in a cool, ventilated warehouse. Keep away f |
| Packaging | II |
| Application | 3-Methylvaleric Acid is a flavoring agent. |
| EINECS | 203-297-7 |
| HTC | 2915600000 |
| PubChem ID | 24901705 |
| MDL Number | MFCD00002729 |
| SMILES | CCC(C)CC(O)=O |
| InChI | 1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChI Key | IGIDLTISMCAULB-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1720696 |
| NACRES Code | NA.21 |
| UNSPSC | 12164502 |
| Hazard Symbols | 8 |
| Bioactivity | 3-Methylvaleric Acid is a flavouring ingredient. Related Catalog Research Areas >> Others Target Human Endogenous Metabolite Chemical & Physical Properties Density 0.9±0.1 g/cm3 Boiling Point 199.0±0.0 °C at 760 mmHg Melting Point -41 °C Molecular Formula C6H12O2 Molecular Weight 116.158 Flash Point 85.0±0.0 °C Exact Mass 116.083733 PSA 37.30000 LogP 1.66 Vapour Pressure 0.1±0.8 mmHg at 25°C Index of Refraction 1.425 InChIKey IGIDLTISMCAULB-UHFFFAOYSA-N SMILES CCC(C)CC(=O)O Water Solubility insoluble |
| Use of | 3-Methylvaleric Acid is a flavouring ingredient. Properties Name DL-3-Methylvaleric acid Synonym More Synonyms 3-Methylvaleric Acid Biological Activity Description 3-Methylvaleric Acid is a flavouring ingredient. Related Catalog Research Areas >> Others Human Endogenous Metabolite Chemical & Physical Properties Molecular Formula C6H12O2 Exact Mass 116.083733 PSA 37.30000 Index of Refraction 1.425 InChIKey IGIDLTISMCAULB-UHFFFAOYSA-N SMILES CCC(C)CC(=O)O Water Solubility insoluble |
| 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. (3-Methylvaleric acid) IMDG: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (3-Methylvaleric acid) International air transport hazard regulations: Corrosive liquid, acidic, organic, n.o.s. (3-Methylvaleric 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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