Basic information
- Name:
Ethanol,2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-
- Superlist Name:
- Bisphenol A bis(2-hydroxyethyl)ether
- CAS No.:
901-44-0
- Molecular Structure:
![Molecular Structure of 901-44-0 (Ethanol,2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-)](http://www.lookchem.com/300w/2010/0624/901-44-0.jpg)
- Formula:
- C19H24O4
- Molecular Weight:
- 316.39
- Deleted CAS:
- 82400-23-5
- Synonyms:
- Ethanol,2,2'-[isopropylidenebis(p-phenyleneoxy)]di- (6CI,7CI,8CI);1,1'-Isopropylidenebis(p-phenyleneoxy-2-ethanol);2,2-Bis(4-b-hydroxyethoxyphenyl)propane;2,2-Bis[4-(2-hydroxyethoxy)phenyl]propane;2,2-Bis[p-(2-hydroxyethoxy)phenyl]propane;2,2-Bis[p-(b-hydroxyethoxy)phenyl]propane;2,2'-[Isopropylidenebis(p-phenyleneoxy)]diethanol;4,4'-Bis(hydroxyethoxy)diphenyldimethylmethane;4,4'-Bis(hydroxyethyl)bisphenol A;AE 2;AE 2 (diol);Dianol 22;Koremul BSA 20;NSC 60933;Newpol BPE 20;Newpol BPE 20T;Simulsol BPLE;SINOPOL BA3;Ethoxylated Bis phenol A;Ethoxylated Bisphenol A;
- EINECS:
- 212-985-6
- Density:
- 1.135 g/cm3
- Boiling Point:
- 494.958 °C at 760 mmHg
- Flash Point:
- 253.142 °C
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Specification
The Ethanol,2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-, with the CAS registry number 901-44-0, is also known as 2,2'-[2,2-Propanediylbis(4,1-phenyleneoxy)]diethanol. Its EINECS registry number is 212-985-6. This chemical's molecular formula is C19H24O4 and molecular weight is 316.39. What's more, its IUPAC name is called 2-[4-[2-[4-(2-Hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol.
Physical properties about Ethanol,2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis- are: (1)ACD/LogP: 3.264; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 178.07; (6)ACD/BCF (pH 7.4): 178.07; (7)ACD/KOC (pH 5.5): 1420.95; (8)ACD/KOC (pH 7.4): 1420.95; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 58.92 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 90.098 cm3; (15)Molar Volume: 278.736 cm3; (16)Surface Tension: 43.57 dyne/cm; (17)Density: 1.135 g/cm3; (18)Flash Point: 253.142 °C; (19)Enthalpy of Vaporization: 80.293 kJ/mol; (20)Boiling Point: 494.958 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)C(c2ccc(OCCO)cc2)(C)C)CCO
(2) InChI: InChI=1S/C19H24O4/c1-19(2,15-3-7-17(8-4-15)22-13-11-20)16-5-9-18(10-6-16)23-14-12-21/h3-10,20-21H,11-14H2,1-2H3
(3) InChIKey: UUAGPGQUHZVJBQ-UHFFFAOYSA-N