Grundinformationen
- 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
Weitere Namen anzeigen
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
Other Classes -> Organic Acids
Industrial compound
Solubility
greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)
1000 mg/mL at 20 °C
Flash Point
greater than 235 °F (NTP, 1992)
Flash Point > 235 °F
Melting Point
45.9 °F (NTP, 1992)
7.7 °C
Physical Description
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)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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
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)
Status: Active Update: 12-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/2127
Substance: Methoxyacetic acid
Methoxyacetic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 4
Repr. 1B
Sicherheit und Schutzausrüstung
First Aid
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.
Toxikologische Informationen
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
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
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
General Manufacturing Information
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
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a methoxy group.
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