2,6-Diethylphenol

HCID 70507

Notes Reactions

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Basic information

CAS: 1006-59-3
Standard SMILES: CCc1cccc(CC)c1O
InChIKey: METWAQRCMRWDAW-UHFFFAOYSA-N
Molecular formula: C10H14O
Average molar mass: 150.22 g/mol
Monoisotopic mass: 150.10446507

Names & identifiers

Preferred name: 2,6-Diethylphenol
IUPAC: 2,6-diethylphenol
English name: 2,6-Diethylphenol
Molecular formula: C10H14O
Molecular weight: 150.22

Names & synonyms

2,6-DiethylphenolPhenol, 2,6-diethyl-BRN 2207162UNII-FXC69FTD6UFXC69FTD6UEINECS 213-744-84-06-00-03351 (Beilstein Handbook Reference)DTXSID5061401RefChem:83212DTXCID3032549213-744-8METWAQRCMRWDAW-UHFFFAOYSA-N

Show more names

2,6-DIETHYLPHENOL 95%2,6-diethylphenol(SALTDATA: FREE)

1006-59-3MFCD01707589CHEMBL300143f343f35DIESCHEMBL199729SCHEMBL199730

Database identifiers

CAS: 1006-59-3
PubChem CID: 70507
DTXSID: DTXSID5061401
ChEMBL: CHEMBL30014
UNII: FXC69FTD6U
EC Number: 213-744-8
Nikkaji: J141.399F

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 99.4

Experimental & physicochemical properties

LogP3.03

Physicochemical properties

Melting point: 37.5 °C · 37.5°C
Boiling point: 218 °C · 218°C
Density: 0.9688 · 0.9688 (estimate)
refractive index: 1.5154 · 1.5154 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 10.57 · 10.57±0.10(Predicted)
Appearance: Brown to reddish brown Solid
EWG's Food Scores: 1 · 1
FDA UNII: 69 FTD6U · FXC69FTD6U
EPA Substance Registry System: 2 · Phenol, 2,6-diethyl- (1006-59-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 305 · P305+P351+P338
Risk Statements: 36 · 36
Safety Statements: 26 · 26
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29071990 · 29071990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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