CAS 16024-56-9 (2-Methoxyethoxy)acetic acid (HCID 27642)

Overview

a urinary biomarker; metabolite of 2-(2-methoxyethoxy)ethanol

Names & identifiers

Preferred name: (2-Methoxyethoxy)acetic acid
IUPAC: 2-(2-methoxyethoxy)acetic acid
English name: 2-(2-Methoxyethoxy)acetic acid
Molecular formula: C5H10O4
Molecular weight: 134.13

Names & synonyms

16024-56-9(2-Methoxyethoxy)acetic acidDTXSID90166841MEAA acidRefChem:395986DTXCID7089332240-161-62-(2-Methoxyethoxy)acetic acidAcetic acid, (2-methoxyethoxy)-MFCD00044097O-(2-Methoxyethyl)glycolic acid2-methoxyethoxyacetic acid

Show more names

DOHAMEAATIMTEC-BB SBB0084972-(2-Methoxyoxyacid3,6-DIOXAHEPTANOIC ACIDMethoxyethoxyacetic acid2-(2-Methoxyethoxy)Acetic(2-Methoxyethoxy)essigsure

2-(2-methoxyethoxy)acetic acid (90%)Acetic acid, 2-(2-methoxyethoxy)-SCHEMBL157312AKOS000120427m-PEG-CH2CO2H, MW 1,000m-PEG-CH2CO2H, MW 10,000BP-23667BP-26112

Database identifiers

CAS: 16024-56-9
PubChem CID: 27642
DTXSID: DTXSID90166841
EC Number: 240-161-6
Nikkaji: J219.941F

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 81

Physicochemical properties

Boiling point: 245 · 245-250 °C (lit.)
Density: 1.18 g/mL · 1.18 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.436(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Chloroform, DMSO, Methanol
form: Oil
pka: 3.4 · 3.40±0.10(Predicted)
color: Clear Colourless
Water Solubility: Fully miscible in water.
BRN: 1753567 · 1753567
InChI: 1S/C5H10O4/c1-8-2-3-9-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey: CLLLODNOQBVIMS-UHFFFAOYSA-N
SMILES: COCCOCC(O)=O
CAS DataBase Reference: 16024 · 16024-56-9(CAS DataBase Reference)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 1 · 1
HazardClass: 8 · 8
PackingGroup: II
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (97.8%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 1
ridadr: UN 3265 8/PG 2
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Applications

Uses2-(2-Methoxyethoxy)acetic Acid is a urinary metabolite of Diglyme (D446300) that is a reproductive toxin. 2-(2-Methoxyethoxy)acetic Acid can be used as a biomarker of exposure for jet fuel JP-8 workers.