Basic information
- CAS
1501-27-5- Standard SMILES
COC(=O)CCCC(=O)O- InChIKey
IBMRTYCHDPMBFN-UHFFFAOYSA-N- Molecular formula
- C6H10O4
- Average molar mass
- 146.14 g/mol
- Monoisotopic mass
- 146.0579088
Overview
Monomethyl glutaric acid is a dicarboxylic acid monoester that the monomethyl ester of glutaric acid. It has a role as a human urinary metabolite. It is functionally related to a glutaric acid.
Names & identifiers
- Preferred name
- Monomethyl glutarate
- IUPAC
- 5-methoxy-5-oxopentanoic acid
- English name
- Mono-methyl glutarate
- Molecular formula
- C6H10O4
- Molecular weight
- 146.14
Names & synonyms
1501-27-5Monomethyl glutarateMethyl hydrogen glutarateGlutaric acid, monomethyl ester4-Methoxycarbonylbutanoic acidPENTANEDIOIC ACID, MONOMETHYL ESTER4-(Methoxycarbonyl)butyric acidPentanedioic acid, 1-methyl esterGlutaric acid methyl half esterNSC-938074-Carboxybutanoic acid methyl esterEINECS 216-116-1
Show more names
utarateTIMTEC-BB SBB007943METHYL HYDROGEN GLUTMethyl glutarate,monomonomethylglutaricaciMono-methyl glutarateMonomethylGlutarate>Monoethyl pentanedioateMethyl hydrogen glutrate
NSC 93807MONOMETHYL PENTANEDIOATESK94163098GLUTARIC ACID, METHYL ESTERRefChem:819332Glutaric acid, monomethyl ester (8CI)216-116-15-Methoxy-5-oxopentanoic acid
Database identifiers
- CAS
1501-27-5
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Melting Point150 - 151 °C
Physical Description
Liquid
Solid
Physicochemical properties
- Boiling point
- 150 · 150-151 °C/10 mmHg (lit.)
- Density
- 1.169 g/mL · 1.169 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.438(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Methanol (Slightly)
- form
- clear liquid
- pka
- 4.62 · 4.62±0.10(Predicted)
- color
- Colorless to Almost colorless
- Water Solubility
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Pentanedioic acid, 1-methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanedioic acid, 1-methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Pentanedioic acid, monomethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29171900
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
U.S. Production2023: 5,000,000 - <10,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Pentanedioic acid, 1-methyl ester: ACTIVE
Applications
UsesIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
9 records
Compound notes
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