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Methoxyessigsäure

Methoxyacetic Acid

HCID 12251
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Grundinformationen

CAS
625-45-6
Standard-SMILES
COCC(=O)O
InChIKey
RMIODHQZRUFFFF-UHFFFAOYSA-N
Summenformel
C3H6O3
Durchschnittliche Molmasse
90,08 g/mol
Monoisotopische Masse
90,03169405

Überblick

Methoxyacetic acid is a colorless liquid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
Methoxyacetic Acid
IUPAC
2-methoxyacetic acid
Lokaler Name
Methoxyessigsäure
Englischer Name
Methoxyacetic acid
Summenformel
C3H6O3
Molmasse
90.08

Namen und Synonyme

METHOXYACETIC ACID2-Methoxyacetic acid625-45-6Acetic acid, methoxy-Methoxyethanoic acidAcetic acid, 2-methoxy-DTXSID1031591F11T1H7Q7WNSC-7300DTXCID9011591CHEBI:132098RefChem:157058
Weitere Namen anzeigen
2-methoxyaceticacidMethoxyacetic2-methoxyaceticMethoxyessigsuremethoxy-aceticaciMethoxyactic acidMethylglycolicacid
210-894-6Iopromide Impurity 45CH3OCH2COOHmethoxy-acetic acidMFCD00004308(methyloxy)acetic acidalpha-methoxyacetic acidMethoxyacetic acid (ACD/Name 4.0)

Datenbank-Bezeichner

CAS
625-45-6
PubChem CID
12251
DTXSID
DTXSID1031591
ChEMBL
CHEMBL1697714
ChEBI
CHEBI:132098
UNII
F11T1H7Q7W
EC Number
210-894-6
Nikkaji
J502I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,3
Polarare Oberfläche (TPSA)
46,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
6
Formalladung
0
Komplexität
50

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Other Classes -> Organic Acids

Industrial compound

SpringerMaterials PropertiesBoiling point
Density1.177 at 68 °F (NTP, 1992) - Denser than water; will sink
Solubility · 2 Einträge

greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)

1000 mg/mL at 20 °C

Flash Point · 2 Einträge

greater than 235 °F (NTP, 1992)

Flash Point > 235 °F

Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point397 to 399 °F at 760 mmHg (NTP, 1992)
Melting Point · 2 Einträge

45.9 °F (NTP, 1992)

7.7 °C

Vapor Pressure1 mmHg at 126.5 °F ; 40 mmHg at 252 °F; 400 mmHg at 363.6 °F (NTP, 1992)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 6 Einträge

Chemical: Acetic acid, methoxy-

Hazard Traits - Reproductive Toxicity

Acetic acid, 2-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-methoxy- 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)

REACH registered substance: Methoxyacetic acid (EC: 210-894-6)

Substance: Methoxyacetic acid

Methoxyacetic acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Acetic acid, methoxy-: Human health tier II assessment
DOT LabelCorrosive
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound is corrosive. (NTP, 1992)
Hazards Summary

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.

Verwendung und Herstellung

UsesUsed in organic synthesis; [Hawley]
U.S. Production2023: 1,000,000 - <8,500,000 lb
Industry UsesOther
Household ProductsInformation on 3 consumer products that contain Methoxyacetic acid in the following categories is provided:
General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

Acetic acid, 2-methoxy-: ACTIVE

Anwendungen

VerwendenMethoxyacetic acid is used in zebrafish embryotoxicity test to evaluate chemical toxicity after exposure of the complete vertebrate embryo during embryogenesis. It is also used in industry as gelling, viscosity and stabilizer reagent.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Methoxyacetyl chlorideMethyl-N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninat

Zugehörige Reaktionen

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Physical Description · 4 Einträge

Methoxyacetic acid is a colorless liquid. (NTP, 1992)

Liquid

Colorless liquid; [CAMEO]

Liquid

Physikochemische Eigenschaften

Schmelzpunkt
7 · 7-9 °C (lit.)
Siedepunkt
202 · 202-204 °C (lit.)
Dichte
1.174 g/mL · 1.174 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.417(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
Chloroform, Methanol (Slightly); Soluble in water, alcohol and oils.
Aggregatzustand
Liquid
pka
1 · pK1:3.57 (25°C)
Farbe
Clear colorless to very slightly yellow
PH
1.6 · 1.6 (100g/l, H2O)
Geruch (Odor)
Peculiar fatty vinegear-like odor, in dilution fairly pleasant.
Wasserlöslichkeit
freely soluble
BRN
635800 · 635800
Henry's Law Constant
1.5 · 1.5×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI
1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey
RMIODHQZRUFFFF-UHFFFAOYSA-N
SMILES
COCC(O)=O
LogP
-0.68 · -0.68
CAS Datenbank
625 · 625-45-6(CAS DataBase Reference)
NIST chemische Informationen
Acetic acid, methoxy-(625-45-6)
EPA chemische Informationen
Methoxyacetic acid (625-45-6)
May cause burns; [eChemPortal: ESIS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Reactive GroupAcids, Carboxylic
Reactivity ProfileMETHOXYACETIC ACID is incompatible with alkalis and metals. (NTP, 1992)
Air and Water ReactionsHygroscopic. Water soluble.
Hazard Classes and Categories · 4 Einträge

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute toxicity (Oral) - Category 4

Repr. 1B

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Exposure Control and Personal Protection1.0 [ppm]
Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and protect it from moisture. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F
10-21
wgk
1
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29189090
RTECS-Nr.
AI8650000
risk_code
60-61-22-34
hazard_code
T
safety_code
53-45
hazard_class
8
packing_group
II
Speicherklasse
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications
Acute Tox. 4 OralEye Dam. 1Repr. 1BSkin Corr. 1BSTOT SE 3
Glyoxylsure
Methoxyessigsureanhydrid
2-Methoxypropionsure
(Methoxymethyl)diphenylphosphinoxid
4,4'-Di-tert-butyldiphenylmethane
2,2,2-Trifluoroethyl methyl ether
Methanol
butyl 2-methoxyacetate
N-(4-bromophenyl)-2-methoxyacetamide

Ergänzende Hinweise

DefinitionChEBI: A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a methoxy group.