DL-2-Methylbutyric acid

Description

DL-2-Methylbutyric acid · CAS 600-07-7 · C5H10O2. UNII PX7ZNN5GXK. Boiling Point: 176.00 to 177.00 °C. @ 760.00 mm Hg; Boiling Point: 176 °C; Solubility: 45 mg/mL at 20 °C.

Identification

CAS Registry Number	600-07-7
PubChem CID	8314
Molecular formula	C5H10O2
IUPAC name	2-methylbutanoic acid
UNII (FDA)	PX7ZNN5GXK
FEMA number	2695
JECFA number	255

Computed Descriptors

Molecular Weight	102.13
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	102.068079557
Monoisotopic Mass	102.068079557
Topological Polar Surface Area	37.3
Heavy Atom Count	7
Formal Charge	0

Physical & Chemical Properties

Boiling Point	176.00 to 177.00 °C. @ 760.00 mm Hg
Boiling Point	176 °C
Solubility	45 mg/mL at 20 °C
Density	0.932-0.936
LogP	1.18
Refractive Index	1.404-1.408

Physical description & handling notes

• Liquid
• Solid
• colourless to pale yellow liquid
• 1 ml in 1 ml 95% alcohol (in ethanol)
• 123.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5021621]

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Butter, Cheese, Fermented, Sour No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	0.1% (1 / 1864)

GHS Hazard Classification

GHS notification summary	0.1% (1 / 1864)
Reported hazard statements	H302 (99.8%), H312 (99.8%), H314, H318 (83.6%), H290 (100%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• 2023: 1,000,000 - <8,500,000 lb
• 2022: 8,500,000 - <25,000,000 lb
• 2021: 1,000,000 - <8,500,000 lb
• 2020: 1,000,000 - <8,500,000 lb

Synonyms

2-Methylbutanoic acid; 116-53-0; 2-METHYLBUTYRIC ACID; DL-2-Methylbutyric acid; Butanoic acid, 2-methyl-; Ethylmethylacetic acid; Methylethylacetic acid; 2-Methybutyric acid; alpha-Methylbutyric acid; FEMA No. 2695; DTXSID5021621; PX7ZNN5GXK; NSC-7304; DTXCID301621; CHEBI:37070; RefChem:910087

Frequently Asked Questions

What are the CAS number and molecular formula of DL-2-Methylbutyric acid?

CAS 600-07-7; molecular formula C5H10O2; molecular weight — g/mol.

What other names is DL-2-Methylbutyric acid known by?

2-Methylbutanoic acid, 116-53-0, 2-METHYLBUTYRIC ACID, DL-2-Methylbutyric acid, Butanoic acid, 2-methyl-, Ethylmethylacetic acid.

What is the regulatory status of DL-2-Methylbutyric acid?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is DL-2-Methylbutyric acid classified as hazardous?

0.1% of GHS notifications report no hazard classification (1 of 1864).

What are the key physical properties of DL-2-Methylbutyric acid?

Boiling Point: 176.00 to 177.00 °C. @ 760.00 mm Hg; Boiling Point: 176 °C; Solubility: 45 mg/mL at 20 °C; Density: 0.932-0.936.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.