2,6-Bis(1-methylpropyl)phenol

2,6-Di-sec-butylphenol

HCID 21685CAS 31291-60-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCC(C)c1cccc(C(C)CC)c1O
InChIKey: FHTGJZOULSYEOB-UHFFFAOYSA-N
Summenformel: C14H22O
Durchschnittliche Molmasse: 206,32 g/mol
Monoisotopische Masse: 206,16706532

Überblick

See also: Bis(1-methylpropyl)phenol (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: 2,6-Di-sec-butylphenol
IUPAC: 2,6-di(butan-2-yl)phenol
Lokaler Name: 2,6-Bis(1-methylpropyl)phenol
Englischer Name: Di-sec-butylphenol
Summenformel: C14H22O
Molmasse: 206.32

Namen und Synonyme

2,6-Di-sec-butylphenol5510-99-62,6-di(butan-2-yl)phenolPhenol, 2,6-bis(1-methylpropyl)-PHENOL, 2,6-DI-sec-BUTYL-2,6-Di-sec-butylfenolDTXSID0044440BRN 22583052,6-Di-sec-butylfenol [Czech]EINECS 226-854-6UNII-862GFQ832E862GFQ832E

Weitere Namen anzeigen

DSBPDI-S-BUTYLPHENOL2,6-DI-S-BUTYLPHENOL2,6-di-sec-butyl-pheno2,6-bis(1-methylpropyl)-pheno

DTXCID8024440EC 226-854-64-06-00-03490 (Beilstein Handbook Reference)RefChem:83099226-854-6FHTGJZOULSYEOB-UHFFFAOYSA-NDi-sec-butylphenol31291-60-8

Datenbank-Bezeichner

CAS: 31291-60-8、5510-99-6
PubChem CID: 21685
DTXSID: DTXSID0044440
ChEMBL: CHEMBL416393
UNII: 862GFQ832E
EC Number: 226-854-6、250-550-2
Nikkaji: J50.126C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 15
Formalladung: 0
Komplexität: 160

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

LogP4.38

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionLiquid

Collision Cross Section151.4 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0044440]

Physikochemische Eigenschaften

Schmelzpunkt: 42 °C · −42 °C(lit.)
Siedepunkt: 255 · 255-260 °C(lit.)
Dichte: 0.918 g/mL · 0.918 g/mL at 25 °C(lit.)
Dampfdruck: 0.01 mm · <0.01 mm Hg ( 20 °C)
Brechungsindex: 20 · n20/D 1.508(lit.)
Flammpunkt: 261 °F · 261 °F
pka: 10.57 · 10.57±0.50(Predicted)
CAS Datenbank: 5510 · 5510-99-6
NIST chemische Informationen: 2 · Phenol, 2,6-bis(1-methylpropyl)-(5510-99-6)
EPA chemische Informationen: 2 · Phenol, 2,6-bis(1-methylpropyl)- (5510-99-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 30.6% (63 of 206) of reports.

Danger

H302 (50.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P332+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 206 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 1.2% (1 of 85) of reports.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: Phenol, bis(1-methylpropyl)-

Phenol, bis(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, bis(1-methylpropyl)- 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: 30-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/1152

Status: Active Update: 26-09-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/11944

Phenol, bis(1-methylpropyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 3 Einträge

Acute Tox. 4 (50.5%)

Acute Tox. 4 (80%)

Hazardous to the aquatic environment (Acute) - Category 1