2-(2-ethoxyethoxy)ethan-1-ol

• ChemBase ID: 104914
• Molecular Formular: C6H14O3
• Molecular Mass: 134.17356
• Monoisotopic Mass: 134.09429431
• SMILES: CCOCCOCCO
• Canonical SMILES: OCCOCCOCC
• InChI: InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
• InChIKey: XXJWXESWEXIICW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxyethoxy)ethan-1-ol
• IUPAC Traditional name: 2-(2-ethoxyethoxy)ethanol
• Synonyms: Diethylene glycol monoethyl ether; Di(ethylene glycol) ethyl ether; 3,6-dioxa-1-octanol; DEGEl; diethylene glycol monoethyl ether,Carbitol; Carbitol Cellosolvl; Transcutol; Dioxitol; Polysolv Dl; Dowanal DE; 2-(2-Ethoxyethoxy)ethanol; 2-[2-Ethoxyethoxy]ethanol; DIETHYLENE GLYCOL MONOETHYL ETHER; CARBITOL™; Diethylene glycol monoethyl ether; DE Solvent; 2-(2-Ethoxyethoxy)ethanol; Diethylene glycol ethyl ether; Ethyldiglycol; Ethyl digol; 二乙二醇单乙醚; 2-(2-乙氧基乙氧基)乙醇; 乙基卡必醇; 二乙二醇乙醚; 二乙二醇单乙醚; DE 溶剂

Database IDs

• CAS Number: 111-90-0
• EC Number: 203-919-7
• MDL Number: MFCD00002872
• Beilstein Number: 1736441
• Merck Index: 141800
• PubChem SID: 162091741; 24878237; 24902041
• PubChem CID: 8146
• Chemspider ID: 13839107
• KEGG ID: D08904
• Unique Ingredient Identifier: A1A1I8X02B
• Wikipedia Title: 2-(2-Ethoxyethoxy)ethanol

CALCULATED PROPERTIES

• Acid pKa: 15.121156
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.25572014
• LogD (pH = 7.4): -0.25572014
• Log P: -0.25572014
• Molar Refractivity: 35.0969 cm^3
• Polarizability: 13.820546 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -10 °C; -76°C; -80°C
• Boiling Point: 196 °C at 101300 hPa; 196-202 °C; 201-202°C; 202 °C; 202 °C(lit.)
• Flash Point: 204.8 °F; 96 °C (closed cup); 96 °C; 96°C(204°F)
• Auto Ignition Point: 204 °C; 218 °C
• Density: .99 g/cm^3 at 20 °C; 0.989; 0.999 g/mL at 25 °C(lit.)
• Refractive Index: 1.4280; n20/D 1.427; n20/D 1.427(lit.)
• Vapor Pressure: 0.12 mmHg ( 20 °C); 17.6 hPa at 25 °C
• Vapor Density: 4.63 (air = 1); 4.63 (vs air)

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Hygroscopic
• RTECS: KK8750000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: III
• Australian Hazchem: 3Y
• Risk Statements: 36; R:36/37/38
• Safety Statements: 26; S:20-25-26-37/39
• Emergency Response Guidebook(ERG) Number: 128
• TSCA Listed: 是
• GHS Pictograms: GHS07
• Explode Limits: 1.2 %, 135 °F; 23.5 %, 182 °F
• GHS Hazard statements: H319
• GHS Precautionary statements: P305+P351+P338
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥98.0%; ≥98.0% (GC); ≥99%; 98%; 99%
• Grade: purum; ReagentPlus®; SAJ first grade
• Linear Formula: C2H5OCH2CH2OCH2CH2OH

DETAILS

MP Biomedicals - 02157689

1 ml = approx. 1.00 g

Sigma Aldrich - D1265

法律信息
CARBITOL 商标 The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - E4550

Legal Information
CARBITOL is a trademark of The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - W509043

Packaging
1 kg in glass bottle
1 sample in glass bottle
10, 25 kg in poly drum
Legal Information
CARBITOL is a trademark of The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - 32230

Legal Information
CARBITOL is a trademark of The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - 537616

Packaging
1, 4 L in poly bottle
100 mL in poly bottle
20 L in steel drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
CARBITOL is a trademark of The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - 07-2980

Legal Information
CARBITOL is a trademark of The Dow Chemical Company or an affiliated company of Dow