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Butylglykolat

Butyl Glycolate

HCID 81882
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Grundinformationen

CAS
7397-62-8
Standard-SMILES
CCCCOC(=O)CO
InChIKey
VFGRALUHHHDIQI-UHFFFAOYSA-N
Summenformel
C6H12O3
Durchschnittliche Molmasse
132,16 g/mol
Monoisotopische Masse
132,07864424

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...Butyl Glycolate...

Namen und Bezeichner

Bevorzugter Name
Butyl Glycolate
IUPAC
butyl 2-hydroxyacetate
Lokaler Name
Butylglykolat
Englischer Name
Butyl hydroxyacetate
Summenformel
C6H12O3
Molmasse
132.16

Namen und Synonyme

Butyl glycolatebutyl 2-hydroxyacetate7397-62-8Butyl hydroxyacetateAcetic acid, hydroxy-, butyl estern-butyl glycolateDTXSID60447253H5QAS0HZXAcetic acid, 2-hydroxy-, butyl esterUNII-3H5QAS0HZXGlycolic acid, butyl esterEINECS 230-991-7
Weitere Namen anzeigen
Polysolvan OButyl hydroxyacetate ISO 9001:2015 REACHPolysolvan 0butyl glycollateButhyl Glycolate
BUTOXYCARBONYLMETHANOLAI3-07975DTXCID4024725EC 230-991-7RefChem:122255BUTYL GLYCOLATE [INCI]230-991-7VFGRALUHHHDIQI-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS
7397-62-8
PubChem CID
81882
DTXSID
DTXSID6044725
ChEMBL
CHEMBL3184386
UNII
3H5QAS0HZX

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,7
Polarare Oberfläche (TPSA)
46,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
5
Schwere Atome
9
Formalladung
0
Komplexität
80,4

Experimentelle und physikochemische Eigenschaften

CosmeticsCosmetic ingredients (Butyl Glycolate) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials PropertiesSurface tension

Physikochemische Eigenschaften

Siedepunkt
187 · 187-190 °C(lit.)
Dichte
1.019 g/mL · 1.019 g/mL at 20 °C(lit.)
Dampfdruck
1.3 hPa · 1.3hPa at 20℃
Brechungsindex
20 · n20/D 1.427
Flammpunkt
74 °C · 74 °C
storage temp.
2 · 2-8°C
pka
12.99 · 12.99±0.10(Predicted)
Wasserlöslichkeit
46 g/L · 46g/L at 20℃
BRN
1749477 · 1749477
Kosmetik-Inhaltsstoffe Funktionen
SKIN CONDITIONING
InChI
InChI=1S/C6H12O3/c1-2-3-4-9-6(8)5-7/h7H,2-5H2,1H3

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

This chemical does not meet GHS hazard criteria for 0.2% (6 of 2726) of reports.

Danger

H318 (99.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 2726 reports by companies from 12 notifications to the ECHA C&L Inventory.

Warning

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Acetic acid, hydroxy-, butyl ester

REACH registered substance: Butyl glycollate (EC: 230-991-7)

Acetic acid, hydroxy-, butyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 Einträge

Eye Dam. 1 (99.8%)

Flammable liquids - Category 4

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...Butyl Glycolate...

Chemie und Industrie

Verwendung und Herstellung

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

VerwendenButyl glycolate may be used in the preparation of N-(α-hydroxyacetyl)-(S)-isoleucine. n-Butyl glycolate is used primarily as a varnish additive, valued because of its low volatility. Trade names include PolysolvanO (Hoechst) and GB-Ester (Wacker). It confers smooth spreading properties and high gloss on nitrocellulose varnish. For acetyl cellulose, it is effective as a blush inhibitor under conditions of high humidity. Due to its good blending properties, n-butyl glycolate is also used as an additive in alkyd resins and oil-based paints.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

NatriumglykolatGlykolsaeure1-Butanol

Zugehörige Reaktionen

25
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 4370
HRID 4370als Eduktuspto-grants-1988_02
Reaktionsgleichung von HRID 128510
HRID 128510als Eduktuspto-grants-1995_11
Reaktionsgleichung von HRID 159034
HRID 159034als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 170130
HRID 170130als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 260951
HRID 260951als Eduktuspto-grants-1996_06
Reaktionsgleichung von HRID 304564
HRID 304564als EduktTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaktionsgleichung von HRID 324272
HRID 324272als Eduktuspto-grants-2001_04
Reaktionsgleichung von HRID 849923
HRID 849923als Eduktuspto-grants-2000_01
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EC Number
230-991-7
Nikkaji
J39.924H
InChIKey
VFGRALUHHHDIQI-UHFFFAOYSA-N
SMILES
C(OCCCC)(=O)CO
LogP
0.38 at · 0.38 at 25℃
CAS Datenbank
7397 · 7397-62-8(CAS DataBase Reference)
NIST chemische Informationen
Butyl glycolate(7397-62-8)
EPA chemische Informationen
Acetic acid, hydroxy-, butyl ester (7397-62-8)

Safe for use in cosmetics, with qualifications

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
NA 1993 / PGIII
risk_code
63-41
hazard_code
Xn
safety_code
23-24/25-36/37/39-26
Speicherklasse
10 - Combustible liquids
Hazard Classifications
Eye Dam. 1Repr. 2