CAS 7659-86-1 2-Ethylhexyl thioglycolate (HCID 24309)

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Grundinformationen

CAS: 7659-86-1
Standard-SMILES: CCCCC(CC)COC(=O)CS
InChIKey: OWHSTLLOZWTNTQ-UHFFFAOYSA-N
Summenformel: C10H20O2S
Durchschnittliche Molmasse: 204,33 g/mol
Monoisotopische Masse: 204,11840088

Namen und Bezeichner

Bevorzugter Name: 2-Ethylhexyl thioglycolate
IUPAC: 2-ethylhexyl 2-sulfanylacetate
Lokaler Name: (2-Ethylhexyl)-thioglykolat
Englischer Name: 2-Ethylhexyl mercaptoacetate
Summenformel: C10H20O2S
Molmasse: 204.33

Namen und Synonyme

2-Ethylhexyl thioglycolate7659-86-12-Ethylhexyl mercaptoacetateMercaptoacetic acid 2-ethylhexyl esterDTXSID40276562-EthylhexylthioglycolateX6P51ASB6HEHTGDTXCID807656RefChem:897807231-626-4Thioglycolic acid 2-ethylhexyl ester

Weitere Namen anzeigen

2-EHTGOCTYL THIOGLYCOLATEEthylhexyl thioglycolateEthylhexyl mercaptoacetate2-Ethylhexylmercaptoacetat2-EHTG(TM)UNII:X6P51ASB6H2-ethvlhexvlthioglvcolate

2-ethylhexyl 2-sulfanylacetateACETIC ACID, MERCAPTO-, 2-ETHYLHEXYL ESTERThioglykolsaeure-2-aethylhexyl esterMFCD000220812-mercaptoacetic acid 2-ethylhexyl ester2-ethylhexyl 2-mercaptoacetate32885-07-7Acetic acid, 2-mercapto-, 2-ethylhexyl ester

Datenbank-Bezeichner

CAS: 7659-86-1
PubChem CID: 24309
DTXSID: DTXSID4027656
ChEMBL: CHEMBL1869371

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 27,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 8
Schwere Atome: 13
Formalladung: 0
Komplexität: 137

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Siedepunkt: 255 · 255-260 °C (lit.)
Dichte: 0.972 g/mL · 0.972 g/mL at 20 °C (lit.)
Dampfdruck: 3.6 Pa · 3.6Pa at 25℃
Brechungsindex: 20 · n20/D 1.461
Flammpunkt: 136 °C · 136 °C
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: 4.73 mg/l · 4.73mg/l
pka: 7.95 · 7.95±0.10(Predicted)
Aggregatzustand: Oil
Farbe: Colourless
Wasserlöslichkeit: 4.73 mg/L · 4.73mg/L at 20℃
BRN: 9047474 · 9047474
InChI: 1S/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 1.8% (5 of 271) of reports.

Warning

H226 (14%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 271 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Acetic acid, mercapto-, 2-ethylhexyl ester

Acetic acid, 2-mercapto-, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-mercapto-, 2-ethylhexyl ester 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: 23-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13385

2-Ethylhexyl thioglycolate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Alkyl mercaptoacetates (C8): Human health tier II assessment

Hazard Classes and Categories · 3 Einträge

Flam. Liq. 3 (14%)

Acute toxicity - category 4

Flammable liquids - Category 3

Sicherheitsdaten

wgk: 3
tsca: TSCA listed

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <2,500,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 Einträge

All Other Basic Inorganic Chemical Manufacturing

Acetic acid, 2-mercapto-, 2-ethylhexyl ester: ACTIVE

Anwendungen

Verwenden2-Ethylhexyl mercaptoacetate can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.