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Methylhydroxyacetat

Methyl Glycolate

HCID 66774
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Grundinformationen

CAS
96-35-5
Standard-SMILES
COC(=O)CO
InChIKey
GSJFXBNYJCXDGI-UHFFFAOYSA-N
Summenformel
C3H6O3
Durchschnittliche Molmasse
90,08 g/mol
Monoisotopische Masse
90,03169405

Überblick

Based on the available information included in this report, the CIR Expert Panel concludes that Glycolic and Lactic Acid, their common salts and their simple esters, are safe for use in cosmetic products at concentrations less than or equal to 10%, at final formulation pH greater than or equal to 3.5, when formulated to avoid increasing sun sensitivity or when directions for use include the daily use of sun protection. These ingredients are safe for use in salon products at concentrations less than or equal to 30%, at final formulation pH greater than or equal to 3.0, in products designed for brief, discontinuous use followed by thorough rinsing from the skin, when applied by trained professionals, and when application is accompanied by directions for the daily use of sun protection...Methyl Glycolate...

Namen und Bezeichner

Bevorzugter Name
Methyl Glycolate
IUPAC
methyl 2-hydroxyacetate
Lokaler Name
Methylhydroxyacetat
Englischer Name
Methyl glycolate
Summenformel
C3H6O3
Molmasse
90.08

Namen und Synonyme

Methyl glycolate96-35-5Methyl hydroxyacetateAcetic acid, hydroxy-, methyl esterGlycolic acid, methyl esterAcetic acid, 2-hydroxy-, methyl ester7G7R729EJ0NSC-27786DTXSID3059131RefChem:157882DTXCID4048981202-502-7
Weitere Namen anzeigen
MGMethylglycolate,98%Hydroxy acetateMethyleglycolate2-hydroxyethanoateGlycolic acid methyl
methyl 2-hydroxyacetateMFCD00004667Hydroxyacetic Acid Methyl Ester2-hydroxyacetic acid methyl esterGlycolic Acid Methyl EsterMethyl 2-hydroxyethanoate124238-96-6EINECS 202-502-7

Datenbank-Bezeichner

CAS
96-35-5
PubChem CID
66774
DTXSID
DTXSID3059131
UNII
7G7R729EJ0
EC Number
202-502-7

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
-0,5
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 ClassesOther Classes -> Esters, Other
CosmeticsCosmetic ingredients (Methyl Glycolate) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials PropertiesCoriolis coupling
Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
149 · 149-151 °C
Siedepunkt
151 °C · 151 °C
Dichte
1.19 · 1.19
Dampfdichte
3.12 · 3.12 (vs air)
Dampfdruck
17 mm · 17 mm Hg ( 52 °C)
Brechungsindex
1.42 · 1.42
Flammpunkt
67 °C · 67 °C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

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 · 5 Einträge

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H227 (33.3%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationAcetic acid, hydroxy-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 4 (33.3%)

Toxikologische Informationen

Toxicity Summary · 2 Einträge

Based on the available information included in this report, the CIR Expert Panel concludes that Glycolic and Lactic Acid, their common salts and their simple esters, are safe for use in cosmetic products at concentrations less than or equal to 10%, at final formulation pH greater than or equal to 3.5, when formulated to avoid increasing sun sensitivity or when directions for use include the daily use of sun protection. These ingredients are safe for use in salon products at concentrations less than or equal to 30%, at final formulation pH greater than or equal to 3.0, in products designed for brief, discontinuous use followed by thorough rinsing from the skin, when applied by trained professionals, and when application is accompanied by directions for the daily use of sun protection...Methyl Glycolate...

Chemie und Industrie

Verwendung und Herstellung

UsesCIR ingredient: Methyl Glycolate
General Manufacturing InformationAcetic acid, 2-hydroxy-, methyl ester: ACTIVE
Anwendungen · 1 Eintrag

VerwendenMethyl glycolate is a chemical reagent used in the synthesis of taxol and rapamycin. It is used in leather tanning and textile dyeing. It acts as a flavoring agent, preservative in food processing, in water treatment industries and as chemical intermediates. Further, it is used in emulsion polymers, ink and paint additive to improve flow properties and impart gloss. It plays an important role in producing triisopropylsilanyloxy-acetic acid methyl ester using imidazole as reagent.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

p-Toluenesulfonic acid monohydrateBorsure5A molecular sieveMethanolGlykolsaeure

Nachgelagerte Produkte

Glykolsaeure4-Oxotetrahydrofuran-3-carbonitrilemethyl 2-(benzyloxy)acetateDimethyloxalat[1,2,4]triazolo[1,5-a]pyridin-2-ylmethanol

Zugehörige Reaktionen

194
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 28784
HRID 28784als Eduktuspto-grants-2008_09
Reaktionsgleichung von HRID 45976
HRID 45976als Eduktuspto-grants-2013_09
Reaktionsgleichung von HRID 61807
HRID 61807als Eduktuspto-grants-2016_09
Reaktionsgleichung von HRID 88279
HRID 88279als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 89704
HRID 89704als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 95388
HRID 95388als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 122747
HRID 122747als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 137979
HRID 137979als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
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Nikkaji
J3.969A
Löslichkeit
Chloroform, Methanol
Aggregatzustand
clear liquid
pka
13 · 13.00±0.10(Predicted)
Farbe
Colorless to Almost colorless
Wasserlöslichkeit
Miscible with water.
BRN
1699571 · 1699571
InChI
1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3
InChIKey
GSJFXBNYJCXDGI-UHFFFAOYSA-N
SMILES
COC(=O)CO
CAS Datenbank
96 · 96-35-5(CAS DataBase Reference)
NIST chemische Informationen
Acetic acid, hydroxy-, methyl ester(96-35-5)
EPA chemische Informationen
Acetic acid, hydroxy-, methyl ester (96-35-5)

Safe for use in cosmetics, with qualifications

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29181990
risk_code
36/37/38
hazard_code
Xi
safety_code
23-24/25
Speicherklasse
10 - Combustible liquids