Ammonium isovalerate
Basic information
- CAS
7563-33-9- Standard SMILES
CC(C)CC(=O)O.N- InChIKey
RKCHCKMAQPJXBM-UHFFFAOYSA-N- Molecular formula
- C5H10O2.H3N
- Average molar mass
- 119.16 g/mol
- Monoisotopic mass
- 119.09462866
Overview
Ammonium isovalerate is an organic ammonium salt of isovaleric acid. It has a role as a flavouring agent. It contains an isovalerate.
Names & identifiers
- Preferred name
- Ammonium isovalerate
- IUPAC
- azane;3-methylbutanoic acid
- English name
- AMMONIUM ISOVALERATE
- Molecular formula
- C5H13NO2
- Molecular weight
- 119.16
Names & synonyms
AMMONIUM ISOVALERATE7563-33-9Ammonium isovalerianateAmmonium 3-methylbutanoateUNII-47DWA95M3XFEMA No. 2054EINECS 231-458-13-methylbutanoic acid amineAI3-3657547DWA95M3Xammonium isovalerate 30% in pgBUTANOIC ACID, 3-METHYL-, AMMONIUM SALT (1:1)
Show more names
30%INPGFEMA 2054Azanium,3-methylbutanoateISOVALERIC ACID AMMONIUM SALT3-methyl-butanoicaciammoniumsalt3-Methylbutanoic acid ammonium saltButanoicacid,3-methyl-,ammoniumsalt
3-AMMONIUM ISOVALERATEAMMONIUM 3-METHYLBUTYRATEDTXSID00226541AMMONIUM ISOVALERATE [FHFI]RefChem:112169DTXCID30149032231-458-1azane;3-methylbutanoic acid
Database identifiers
- CAS
7563-33-9- PubChem CID
- 61419
- ChEBI
CHEBI:188326- EC Number
- 231-458-1
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 66.5
Experimental & physicochemical properties
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in water, oils
soluble (in ethanol)
Physical DescriptionDeliquescent colourless crystals; sharp, cheesy, yet somewhat sweet aroma
Physicochemical properties
- FEMA
- 2054 · 2054 | AMMONIUM ISOVALERATE
- FLAVIS Number
- 16.001 · 16.001 | Ammonium isovalerate
- solubility
- Very soluble in water.Soluble in alcohol and essential oils.
- form
- Colorless crystals
- Odor
- 100 % · at 100.00 %. valeric acid fruity sharp cheesy
- Odor Type
- rancid
- JECFA Number
- 1203 · 1203
- LogP
- 1.13 · 1.13
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (91 of 91) of all reports.
Not Classified
Aggregated GHS information provided per 91 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Butanoic acid, 3-methyl-, ammonium salt
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Butanoic acid, 3-methyl-, ammonium salt: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
UsesAmmonium isovalerate is used in flavor compositions for Butter,Cheese, Nut, etc. Concentrations up to 60 ppm in the finished product.
Additional notes
DefinitionChEBI: Ammonium isovalerate is an organic ammonium salt of isovaleric acid. It has a role as a flavouring agent. It contains an isovalerate.
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Compound notes
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