1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
Basic information
- CAS
54914-85-1- Standard SMILES
Cc1cccc(OCCOc2cccc(C)c2)c1- InChIKey
OAGNKYSIOSDNIG-UHFFFAOYSA-N- Molecular formula
- C16H18O2
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.13067981
Names & identifiers
- Preferred name
- 1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
- IUPAC
- 1-methyl-3-[2-(3-methylphenoxy)ethoxy]benzene
- English name
- 1,2-Bis(3-methylphenoxy)ethane
- Molecular formula
- C16H18O2
- Molecular weight
- 242.31
Names & synonyms
54914-85-11,2-Bis(3-methylphenoxy)ethane8CHG3RV79M1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[3-methyl-NSC-117525J93.684G1,1'-[ethane-1,2-diylbis(oxy)]bis(3-methylbenzene)Benzene, 1,1'-(1,2-ethanediylbis(oxy))bis(3-methyl-1,2-bis(3'-methylphenoxy)ethaneEC 402-730-9NSC 117525
Show more names
F-203(EGTE)Ethyleneglycol m-tolyl ether1,2-Bis(3-methylphenoxy)ethan3,3'-(Ethylenebisoxy)bistoluene1,2-Bis(3-Methylphenyloxy)ethane1,2-Bis(M-Tolyloxy)Ethane (EGTE)Ethylene Glycol Di(m-tolyl) Ether
ETHYLENE GLYCOL BIS(M-TOLYL ETHER)RefChem:409104402-730-9633-380-71,2-BIS(M-TOLYLOXY)ETHANE1-methyl-3-[2-(3-methylphenoxy)ethoxy]benzeneMFCD00025952DTXSID6044690
Database identifiers
- CAS
54914-85-1- PubChem CID
- 97354
- DTXSID
DTXSID6044690- ChEMBL
CHEMBL3187070- UNII
- 8CHG3RV79M
- EC Number
- 402-730-9、633-380-7
- Nikkaji
- J93.684G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 96 to · 96.0 to 100.0 °C
- Boiling point
- 381.8 · 381.8±30.0 °C(Predicted)
- Density
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- vapor pressure
- 0.001 · 0.001-0.004Pa at 25-45.5℃
- solubility
- Chloroform (Slightly), Methanol (Very Slightly)
- form
- Solid:particulate/powder
- color
- White to Light yellow
- InChI
- InChI=1S/C16H18O2/c1-13-5-3-7-15(11-13)17-9-10-18-16-8-4-6-14(2)12-16/h3-8,11-12H,9-10H2,1-2H3
- InChIKey
- OAGNKYSIOSDNIG-UHFFFAOYSA-N
- SMILES
- C(OC1=CC=CC(C)=C1)COC1=CC=CC(C)=C1
- LogP
- 3.94 at · 3.94 at 21℃
- Surface tension
- 72.6 mN/m · 72.6mN/m at 400μg/L and 20℃
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 CHG3RV79M · 8CHG3RV79M
- EPA Substance Registry System
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 1,2-bis(3-methylphenoxy)ethane (EC: 402-730-9)
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Aquatic Acute 1 (100%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
Safety data
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG III
- hs_code
- 2909.30.6000
- risk_code
- 50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 60-61
- hazard_class
- 9
- packing_group
- III
- Hazard statements
- H410
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[3-methyl-: ACTIVE
Applications
Uses1,2-Bis(m-tolyloxy)ethane can be used for its agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay
General DescriptionIn a thermal recording medium including a basic chromogenic dye, a developer and a sensitizer, a composition for a thermal recording medium which composition contains 50 ppm to 5.0 mass % of 1-(3-methylphenoxy)-2-(4-methylphenoxy)ethane and/or 1,2-bis(4-methylphenoxy)ethane in 1,2-bis(3-methylphenoxy)ethane is used as a said sensitizer, whereby the 1,2-bis(3-methylphenoxy)ethane compound is remarkably improved in milling property in the preparation of the above sensitizer, and a thermal recording medium is provided without impairing the colourability, etc., such as thermal colorability. Generally, as raw materials, 1,2-bis(3-methylphenoxy)ethane is synthesized from 3-methylphenol and 1,2-dihalogenoethane or the like and then purified by recrystallization.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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