2-Methylvaleric acid
Also known as 2-Methylpentanoic acid, Pentanoic acid, 2-methyl-, 2-Pentanecarboxylic acid
Key facts
What buyers check first
- CAS number
- 97-61-0
- Formula
- C6H12O2
- Molar mass
- 116.16 g/mol
- EC number
- 202-594-9
- HS code
- 291590
- Category
- Synthetic aroma chemicals
What is 2-Methylvaleric acid?
Plain description, key identifiers and synonyms
2-methylvaleric acid is a methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2. It has a role as a flavouring agent, a fragrance and a plant metabolite. It is a monocarboxylic acid, a short-chain fatty acid, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is a conjugate acid of a 2-methylvalerate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-methylpentanoic acid
- CAS number
- 97-61-0 CAS number cross-checkedOther or deprecated CAS: 22160-39-0, 27936-41-0
- EC numbers
- 202-594-9, 684-233-9
- Molecular formula
- C6H12O2
- UNII
- 26A19CG6J9
- MDL number
- MFCD00002671
- INCI name
- METHYLVALERIC ACID
- InChIKey
- OVBFMEVBMNZIBR-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
- SMILES (canonical and isomeric)
- CCCC(C)C(=O)O
Synonyms
- 2-Methylpentanoic acid
- Pentanoic acid, 2-methyl-
- 2-Pentanecarboxylic acid
- Methylpropylacetic acid
- Valeric acid, 2-methyl-
- alpha-Methylvaleric acid
- 2-methyl valeric acid
- 2-methyl-pentanoic acid
- Kyselina 2-methylvalerova
- 2-Methyl-n-valeric acid
- Dihydrostrawberriff acid
- (2RS)-2-Methylpentanoic Acid
- Pentanoic acid, methyl-
- (2S)-2-methylpentanoate
- 2-Methylvalericacid
- (+)-2-Methylpentanoic Acid, (+)-2-Methylvaleric Acid, (S)-(+)-2-Methylpentanoic Acid, (S)-(+)-2-Methylvaleric Acid, (S)-2-Methylpentanoic Acid
- 2-methyl pentanoic acid
- n-C3H7CH(CH3)COOH
- racemic 2-methylvaleric acid
- (S)-2-Methylpentenoic acid
- 2-Methylvaleric acid, 98%
- 4-02-00-00942 (Beilstein Handbook Reference)
- (+/-)-2-Methylvaleric acid
- (+/-)-2-methylpentanoic acid
- Sodium Valproate EP Impurity L
Show all 30 synonymsShow fewer synonyms
- dl-2-Methylpentanoic acid
- (+-)-2-Methylpentanoic acid
- 2-Methylpentanoic acid, >=98%, FCC, FG
- Valproic acid impurity l
- Sodium Valproate EP Impurity L, Valproic Acid EP Impurity L
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 116.16 g/molcalc.Computed value |
|---|---|
| Exact mass | 116.0837 Dacalc.Computed value |
| LogP (octanol/water) | 1.51calc.Computed value |
| Topological polar surface area | 37.3 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 8calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.83calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H314Causes severe skin burns and eye damage.
- H318Causes serious eye damage.
Precautionary statements (14)
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
- P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P316Get emergency medical help immediately.
- P317Get medical help.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P363Wash contaminated clothing before reuse.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aid2-Methylvaleric acid suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Germany, Monheim am Rhein ManufacturerUnclaimed profile2-Methylvaleric acidGrade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profile2-Methylvaleric acidGrade, purity and minimum order on requestPrice on request
- ChinaUnclaimed profile2-Methylvaleric acidGrade, purity and minimum order on requestPrice on request
- Japan, Setagaya-Ku ManufacturerUnclaimed profile2-Methylvaleric acidGrade, purity and minimum order on requestPrice on request
- India, Ankleshwar ManufacturerUnclaimed profile2-Methylvaleric acidGrade, purity and minimum order on requestPrice on request
- China, NanjingUnclaimed profile2-Methylvaleric acidGrade, purity and minimum order on requestPrice on request
- Germany, KielUnclaimed profile2-Methylvaleric acidGrade, purity and minimum order on requestPrice on request
- Canada, MontrealUnclaimed profile2-Methylvaleric acidGrade, purity and minimum order on requestPrice on request
- Czech Republic, Czech RepublicUnclaimed profile2-Methylvaleric acidGrade, purity and minimum order on requestPrice on request
- China, ChangzhouUnclaimed profile2-Methylvaleric acidGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
10 suppliers in 6 countries
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2-Methylvaleric acid price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Cosmetic ingredient, INCI name METHYLVALERIC ACID(perfuming)
Roles
- additive
- eukaryotic metabolite
- flavouring agent
- food additive
- food component
- fragrance
- metabolite
- physiological role
- plant metabolite
Functional uses
- Flavouring and nutrient
- Fragrance
Cosmetic functions
- Perfuming
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code 2-Methylvaleric acid is traded under.
Saturated acyclic monocarboxylic acids, anhydrides, halides, peroxides, peroxyacids and halogenated…
- China14.4%
- Netherlands11.7%
- United States11.5%
The HS code shown for 2-Methylvaleric acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about 2-Methylvaleric acid, based on the data on this page
What is 2-Methylvaleric acid?
What is the CAS number of 2-Methylvaleric acid?
What is the molecular formula and weight of 2-Methylvaleric acid?
What is 2-Methylvaleric acid used for?
Is 2-Methylvaleric acid hazardous?
What is the HS code of 2-Methylvaleric acid?
Where can I buy 2-Methylvaleric acid?
Where can I buy 2-Methylvaleric acid in India?
What is the price of 2-Methylvaleric acid?
Guides for buyers
Practical guides that help when you source, ship or handle 2-Methylvaleric acid
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, FormulationHow to choose a cosmetic emulsifierA structured way to choose an emulsifier for creams and lotions: emulsion type, HLB and its limits, emulsifier families, formula fit, stability testing and what to ask suppliers.Read
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