Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 21685Erstellt: 26. Oktober 2026

2,6-Bis(1-methylpropyl)phenol

2,6-Di(butan-2-yl)phenol · DSBP · DI-S-BUTYLPHENOL · DI-SEC-BUTYLPHENOL · 2,6-DI-S-BUTYLPHENOL · 2,6-Di-sec-butylfenol · 2,6-di-sec-butyl-pheno · 2,6-DI-SEC-BUTYLPHENOL

https://huagongshe.com/de/chemical/21685

Molekülstruktur von 2,6-Bis(1-methylpropyl)phenol

Identifikatoren & physikalische Daten

CAS No.31291-60-8
SummenformelC14H22O
Durchschnittliche Molmasse206,32 g/mol
Monoisotopische Masse206,16706532 g/mol
SMILESCCC(C)c1cccc(C(C)CC)c1O
InChIKeyFHTGJZOULSYEOB-UHFFFAOYSA-N
PubChem CID21685
ChEMBLCHEMBL416393
EC No.226-854-6
DTXSIDDTXSID0044440
Lokaler Name2,6-Bis(1-methylpropyl)phenol

Chemische & physikalische Eigenschaften

XLogP4,4
Polarare Oberfläche (TPSA)20,2
H-Brücken-Donoren1
H-Brücken-Akzeptoren1
Frei drehbare Bindungen4
Schwere Atome15
Formalladung0
Komplexität160
SpringerMaterials PropertiesOptical coefficient
LogP (Verteilungskoeffizient)4.38
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid
Collision Cross Section151.4 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID0044440]
Schmelzpunkt−42 °C(lit.)
Siedepunkt255-260 °C(lit.)
Dichte0.918 g/mL at 25 °C(lit.)
Dampfdruck<0.01 mm Hg ( 20 °C)
Brechungsindexn20/D 1.508(lit.)
Flammpunkt261 °F
pKa (Säurekonstante)10.57±0.50(Predicted)
CAS Datenbank5510-99-6
NIST chemische InformationenPhenol, 2,6-bis(1-methylpropyl)-(5510-99-6)
EPA chemische InformationenPhenol, 2,6-bis(1-methylpropyl)- (5510-99-6)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 30.6% (63 of 206) of reports.DangerH302 (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.
Regulatorische InformationenChemical: 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/1152Status: Active Update: 26-09-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/11944Phenol, 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 CategoriesAcute Tox. 4 (50.5%)Acute Tox. 4 (80%)Hazardous to the aquatic environment (Acute) - Category 1
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 3265 8/PG 2
Zollcode29071990
RTECS-Nr.SK8225000
R-Sätze (R)34-36/37/38
GefahrensymboleC,Xi
Sicherheitshinweise (S)26-27-28-36/37/39-45-24/25
Gefahrenklasse9
VerpackungsgruppeIII