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3-[4-[[4-(2,3-Dihydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol

HCID 3928015
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
72406-26-9
Standard SMILES
OCC(O)COc1ccc(Cc2ccc(OCC(O)CO)cc2)cc1
InChIKey
VGJRHUPDMVWBFM-UHFFFAOYSA-N
Molecular formula
C19H24O6
Average molar mass
348.4 g/mol
Monoisotopic mass
348.15728848

Names & identifiers

Preferred name
3-[4-[[4-(2,3-Dihydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
IUPAC
3-[4-[[4-(2,3-dihydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
English name
Bisphenol F bis(2,3-dihydroxypropyl) ether
Molecular formula
C19H24O6
Molecular weight
348.39

Names & synonyms

3-[4-[[4-(2,3-dihydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol3-(4-{[4-(2,3-dihydroxypropoxy)phenyl]methyl}phenoxy)propane-1,2-diol3-(4-((4-(2,3-dihydroxypropoxy)phenyl)methyl)phenoxy)propane-1,2-diolRefChem:492335891-844-672406-26-9Bisphenol F bis(2,3-dihydroxypropyl) etherBis[4-(2,3-dihydroxypropoxy)phenyl]methane3,3'-((Methylenebis(4,1-phenylene))bis(oxy))bis(propane-1,2-diol)BFDGE.2H2OBFDGE.2H2O; Bisphenol F bis(2,3-dihydroxypropyl) ether; 1,2-Propanediol, 3,3'-[methylenebis(4,1-phenyleneoxy)]bis-SCHEMBL13310058
Show more names
BFDGE-2H2O in Methanol1,2-Propanediol, 3,3'-[methylenebis(4,1-phenyleneoxy)]bis-Bisphenol F bis(2,3-dihydroxypropyl) ether,Bis[4-(2,3-dihydroxypropoxy)phenyl]methane
DTXSID80398013MSK87113,3'-[Methylenebis(4,1-phenyleneoxy)]bis-1,2-propanediolMSK8711-100MAKOS024282752MSK8711-1000MFB18834ST058402

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
99.4 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
25
Formal charge
0
Complexity
305

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
146 · 146-148°C
Boiling point
612.8 · 612.8±50.0 °C(Predicted)
Density
1.273 · 1.273±0.06 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid
pka
13.23 · 13.23±0.20(Predicted)
color
White to Off-White
Major Application
cleaning productscosmeticsfood and beveragespersonal care
InChI
1S/C19H24O6/c20-10-16(22)12-24-18-5-1-14(2-6-18)9-15-3-7-19(8-4-15)25-13-17(23)11-21/h1-8,16-17,20-23H,9-13H2
InChIKey
VGJRHUPDMVWBFM-UHFFFAOYSA-N
SMILES
OCC(O)COc1ccc(Cc2ccc(OCC(O)CO)cc2)cc1

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications · 1 item

UsesBisphenol F Bis(2,3-dihydroxypropyl)ether is a derivative of Bisphenol F Diglycidyl Ether (B438750). Bisphenol F Bis(2,3-dihydroxypropyl)ether is used as a standard for determining toxic monomers released from polymers of the inner coating of cans.

Suppliers16 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
广东翁江化学试剂有限公司

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
72406-26-9
PubChem CID
3928015
DTXSID
DTXSID80398013
EC Number
891-844-6
Nikkaji
J1.128.298I
UNSPSC Code
85151701 · 85151701
NACRES
24 · NA.24
WGK Germany
3 · 3
Storage Class
11 · 11 - Combustible Solids
0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]