2,2'-(p-Phenylenedioxy)diethanol
Basic information
- CAS
104-38-1- Standard SMILES
OCCOc1ccc(OCCO)cc1- InChIKey
WTPYFJNYAMXZJG-UHFFFAOYSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.08920892
Names & identifiers
- Preferred name
- 2,2'-(p-Phenylenedioxy)diethanol
- IUPAC
- 2-[4-(2-hydroxyethoxy)phenoxy]ethanol
- English name
- Hydroquinone bis(2-hydroxyethyl)ether
- Molecular formula
- C10H14O4
- Molecular weight
- 198.22
Names & synonyms
104-38-11,4-Bis(2-hydroxyethoxy)benzeneHydroquinone bis(2-hydroxyethyl) etherVernatzer 30/102,2'-(p-Phenylenedioxy)diethanol2,2'-(Phenylenedioxy)diethanolHydroquinone diethylol etherHydroquinone di(2-hydroxyethyl) ether2,2'-p-Phenylenedioxydiethanol1,4-(2-Hydroxyethoxy)benzeneEthanol, 2,2'-(p-phenylenedioxy)di-Ethanol, 2,2'-(1,4-phenylenebis(oxy))bis-
Show more names
HQEE1,4-DI(2-HYDROXYETHOXY)BENZENEHQERJADEWIN HQEEHORSETAILP.EJADEADD HQEEchain extender
Bis(beta-hydroxyethyl) hydroquinone etherNSC 1862EINECS 203-197-31,4-Bis(beta-hydroxyethoxy)benzeneNSC-1862N2PVM9C37Q1,4-Bis(.beta.-hydroxyethoxy)benzeneEthanol, 2,2'-[1,4-phenylenebis(oxy)]bis-
Database identifiers
- CAS
104-38-1- PubChem CID
- 66912
- DTXSID
DTXSID5026702- ChEMBL
CHEMBL3185174- UNII
- N2PVM9C37Q
- EC Number
- 203-197-3
- Nikkaji
- J59.952B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionOther Solid
Physicochemical properties
- Melting point
- 100 · 100-102 °C(lit.)
- Boiling point
- 185 · 185-200 °C (0.3 mmHg)
- Density
- 1.0143 · 1.0143 (rough estimate)
- vapor pressure
- 0.45 Pa · 0.45Pa at 45℃
- refractive index
- 1.472 · 1.4720 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 13.99 · 13.99±0.10(Predicted)
- form
- Crystalline Powder or Flakes
- color
- White to off-white
- Odor
- odorless
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
This chemical does not meet GHS hazard criteria for 29.9% (53 of 177) of reports.
Warning
H315 (69.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 177 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanol, 2,2'-[1,4-phenylenebis(oxy)]bis-
Ethanol, 2,2'-[1,4-phenylenebis(oxy)]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-[1,4-phenylenebis(oxy)]bis- 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)
REACH registered substance: 2,2'-p-phenylenedioxydiethanol (EC: 203-197-3)
Ethanol, 2,2'-[1,4-phenylenebis(oxy)]bis-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (69.5%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29094990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesAdhesion/cohesion promoter
Industry UsesAdhesion/cohesion promoter
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Ethanol, 2,2'-[1,4-phenylenebis(oxy)]bis-: ACTIVE
Applications
DescriptionHydroquinone bis(2-hydroxyethyl) ether (HQEE) is a kind of polyurethane chain extender synthesized by hydroquinone (HQ) and ethylene oxide (EO). With different molar ratios of hydroquinone bis(2-hydroxyethyl)ether (HQEE)/1,4-butanediol 9/91, 18/82 and 27/73, a series of thermoplastic poly(butylene-co-hydroquinone bis(2-hydroxyethyl)ether terephthalates) (PBHT) were synthesized via melt polycondensation. The incorporation of the HQEE group significantly improved the thermal properties of the polymers. However, HQEE did not change the crystal structure of PBT. The Tm values of the copolymers decreased (from 208°C to 174°C) with increasing content of HQEE segments, on the contrary, Tg values increased (from 37°C to 43°C)[1-2].
UsesPreparation of polyester, polyolefins, polyurethanes, and hard waxy resins, organic synthesis.
UsesHydroquinone bis(2-hydroxyethyl) ether is used to produce 1,4-bis-(2-bromo-ethoxy)-benzene.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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