Tert-dodecanethiol (HCID 32793)

Namen und Bezeichner

Bevorzugter Name: Tert-dodecanethiol
IUPAC: 2,3,3,4,4,5-hexamethylhexane-2-thiol
Lokaler Name: tert-Dodecanthiol
Englischer Name: tert-dodecylthiol
Summenformel: C12H26S
Molmasse: 202.4

Namen und Synonyme

TERT-DODECANETHIOLtert-Dodecylthioltert-Dodecyl mercaptan2,3,3,4,4,5-hexamethylhexane-2-thiolSulfole 120t-Dodecanethiolt-DDMDTXSID1025221G00MDQ58TBNCGC00091163-03tert-Lauryl MercaptanCCRIS 6030

Weitere Namen anzeigen

TDMDodecanethioltert-DodecanetdodecanethioltertiaireTert-Dodecyl Mercaptane

terc.Dodecylmerkaptan [Czech]2,3,3,4,4,5-Hexamethyl-2-hexanethiolt-DodecylmercaptanEINECS 246-619-1terc.DodecylmerkaptanBRN 1738382TERT-DODECYL THIOLT-DODECYL MERCAPTAN

Datenbank-Bezeichner

CAS: 25103-58-6
PubChem CID: 32793
DTXSID: DTXSID1025221
ChEMBL: CHEMBL1325985
UNII: G00MDQ58TB
EC Number: 246-619-1
Nikkaji: J76.265B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,8
Polarare Oberfläche (TPSA): 1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 176

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLarge Crystals; Liquid

Physikochemische Eigenschaften

Schmelzpunkt: -7.5 °C · -7.5°C
Siedepunkt: 227 · 227-248 °C (lit.)
Dichte: 0.86 g/mL · 0.86 g/mL at 20 °C (lit.)
Dampfdruck: 1.33 hPa · 1.33 hPa (25.5 °C)
Brechungsindex: 1.4486 · 1.4486 (estimate)
Flammpunkt: 195 °F · 195 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: 0.1 g/l · <0.1g/l
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: 0.1 g/100 · <0.1 g/100 mL at 23 ºC
BRN: 1738382 · 1738382
InChI: 1S/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3
InChIKey: CXUHLUIXDGOURI-UHFFFAOYSA-N
SMILES: SC(C(C(C(C)C)(C)C)(C)C)(C)C
LogP: 7.43 at · 7.43 at 20℃
CAS Datenbank: 25103 · 25103-58-6(CAS DataBase Reference)
EPA chemische Informationen: tert-Dodecanethiol (25103-58-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.3% (25 of 1065) of reports.

Warning

H315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1065 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: tert-Dodecanethiol

tert-Dodecanethiol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of tert-Dodecanethiol 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: 01-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13431

t-Dodecanethiol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - tert-Dodecanethiol: Human health tier I assessment

Hazard Classes and Categories · 3 Einträge

Skin Irrit. 2 (95.6%)

Flammable liquids - Category 4

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
hs_code: 29309070
RTECS-Nr.: JR3150000
risk_code: 36/38-50/53
Toxizität: LD50 orally in Rabbit: 6800 mg/kg LD50 dermal Rabbit 12600 mg/kg
hazard_code: Xi,N
safety_code: 26-36-60
hazard_class: 9
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1B
Selbstentzündungstemperatur: 350 °C

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 25,000,000 - <40,000,000 lb

Consumer UsesChain transfer agent

Industry UsesFlotation agent

General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

tert-Dodecanethiol: ACTIVE

Anwendungen · 1 Eintrag

VerwendenTert-dodecylthiol is used in the polymer industry and as a processing regulator, processing aid (i.e. pH value regulator, flocculant and precipitant), lubricant, for the manufacture of plastic materials, resins, paints, coatings, rubber products, and mining, among other things.