2,2'-Ethylidenbis[4,6-di-tert-butylphenol]

2,2'-Ethylidenebis(4,6-di-tert-butylphenol)

HCID 118899CAS 35958-30-6

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Grundinformationen

Standard-SMILES: CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIKey: DXCHWXWXYPEZKM-UHFFFAOYSA-N
Summenformel: C30H46O2
Durchschnittliche Molmasse: 438,7 g/mol
Monoisotopische Masse: 438,34978071

Namen und Bezeichner

Bevorzugter Name: 2,2'-Ethylidenebis(4,6-di-tert-butylphenol)
IUPAC: 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol
Lokaler Name: 2,2'-Ethylidenbis[4,6-di-tert-butylphenol]
Englischer Name: 2,2'-ETHYLIDENEBIS(4,6-DI-TERT-BUTYLPHENOL)
Summenformel: C30H46O2
Molmasse: 438.68

Namen und Synonyme

35958-30-62,2'-Ethylidenebis(4,6-di-tert-butylphenol)tetrabutyl ethylidenebisphenolVanox 1290Isonox 129TINOGARD NOADTXSID4038899UNII-AY30042JFFAY30042JFF1,1-bis(3,5-di-tert-butyl-2-hydroxyphenyl)ethaneEthylidenebisdibutylphenolEINECS 252-816-3

Weitere Namen anzeigen

Irganox 129Anox 29Ionox 129Ethanox 308Songnox 1290Antioxidant 308

DTXCID20188992,2'-Ethylidene bis(4,6-di-t-butylphenol)2,2'-ethylidenebis[4,6-di-tert-butylphenol]2,2'-Ethylidenebis (4,5-di-tert.-butylphenol)PHENOL, 2,2'-ETHYLLIDENEBIS(4,6-BIS(1,1-DIMETHYLETHYL)-RefChem:80738TETRABUTYL ETHYLIDENEBISPHENOL [INCI]DXCHWXWXYPEZKM-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 35958-30-6
PubChem CID: 118899
DTXSID: DTXSID4038899
ChEMBL: CHEMBL3561026
UNII: AY30042JFF
EC Number: 252-816-3
Nikkaji: J41.192B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 10,1
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 6
Schwere Atome: 32
Formalladung: 0
Komplexität: 555

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Food Contact Substances · 2 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

Collision Cross Section224.4 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4038899]

Physikochemische Eigenschaften

Schmelzpunkt: 162 · 162-164 °C(lit.)
Siedepunkt: 464.8 · 464.8±40.0 °C(Predicted)
Dichte: 0.975 · 0.975±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 11.28 · 11.28±0.50(Predicted)
Aggregatzustand: solid
Kosmetik-Inhaltsstoffe Funktionen: ANTIOXIDANT
InChI: 1S/C30H46O2/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13/h14-18,31-32H,1-13H3
InChIKey: DXCHWXWXYPEZKM-UHFFFAOYSA-N
SMILES: CC(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)c2cc(cc(c2O)C(C)(C)C)C(C)(C)C
LogP: 9.84 · 9.840 (est)
EPA chemische Informationen: 2 · Phenol, 2,2'-ethylidenebis[4,6-bis(1,1-dimethylethyl)- (35958-30-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 84.3% (210 of 249) of all reports.

Warning

H315 (15.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 249 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.