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| CAS No.: | 120-55-8 |
|---|---|
| Name: | Diethylene glycol dibenzoate |
| Article Data: | 17 |
| Molecular Structure: | |
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|
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| Formula: | C18H18O5 |
| Molecular Weight: | 314.338 |
| Synonyms: | Benzoflex 2-42;Benzoflex 2-45;Benzoflex S 45;Di-O-benzoyldiethylene glycol;Flexol 2GB;K-Flex DE;MonocizerPB 3;Velsicol 2-45;Diethyleneglycol, dibenzoate (6CI,7CI,8CI);Ethanol, 2,2'-oxybis-, dibenzoate (9CI);2-[2-(Benzoyloxy)ethoxy]ethyl benzoate;DEDB; |
| EINECS: | 204-407-6 |
| Density: | 1.183 g/cm3 |
| Melting Point: | 24 °C |
| Boiling Point: | 408 °C at 760 mmHg |
| Flash Point: | 173 °C |
| Solubility: | 微溶于水，溶于一般有机溶剂 |
| Appearance: | clear liquid |
| Safety: | 24/25 |
| PSA: | 61.83000 |
| LogP: | 2.71700 |
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- 120-55-8
diethyleneglycol dibenzoate
| Conditions | Yield |
|---|---|
| Heating; | 100% |
| Conditions | Yield |
|---|---|
| With Sb(OAc)2 at 105℃; for 48h; | 98% |
| With titanium(IV) isopropylate In 5,5-dimethyl-1,3-cyclohexadiene at 170℃; Large scale; | 98% |
| With sodium hydrogen sulfate at 180 - 200℃; Large scale; | 95% |
- 111-46-6
diethylene glycol
- 848417-68-5
3,6-dibenzoyloxy-1,2-pyridazine
- 120-55-8
diethyleneglycol dibenzoate
| Conditions | Yield |
|---|---|
| With triethylamine In N,N-dimethyl-formamide at 75 - 80℃; for 6h; | 80% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide | |
| With pyridine |
| Conditions | Yield |
|---|---|
| With diethylamine at 200℃; |
- 532-32-1
sodium benzoate
- 111-44-4
3-oxa-1,5-dichloropentane
A
- 120-55-8
diethyleneglycol dibenzoate
B
- 91427-49-5
2-(2-chloroethoxy)ethyl benzoate
| Conditions | Yield |
|---|---|
| With diethylamine at 140℃; |
- 120-55-8
diethyleneglycol dibenzoate
- 22513-32-2
acid sodium salt of benzohydroxamic acid
| Conditions | Yield |
|---|---|
| With hydroxylamine hydrochloride; sodium hydroxide at 33℃; for 0.25h; Temperature; | 88.91% |
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Consensus Reports
Diethylene glycol dibenzoate is reported in EPA TSCA Inventory. Glycol ether compounds are on the Community Right-To-Know List.
Specification
The Diethylene glycol dibenzoate, with the CAS registry number 120-55-8,is also known as 2,2'-Oxydiethylene dibenzoate. It belongs to the product categories of Organic matters. This chemical's molecular formula is C18H18O5 and molecular weight is 314.34.Its EINECS number is 204-407-6. What's more,Its systematic name is Diethylene glycol dibenzoate. It is mainly used as a plasticizer.
Physical properties about Cyclophosphamide monohydrate are:
(1)ACD/LogP: 3.995; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.00; (4)ACD/LogD (pH 7.4): 4.00; (5)ACD/BCF (pH 5.5): 640.12; (6)ACD/BCF (pH 7.4): 640.12; (7)ACD/KOC (pH 5.5): 3550.77; (8)ACD/KOC (pH 7.4): 3550.77; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 85.014 cm3; (14)Molar Volume: 265.493 cm3; (15)Surface Tension: 45.976001739502 dyne/cm; (16)Density: 1.184 g/cm3; (17)Flash Point: 172.981 °C; (18)Enthalpy of Vaporization: 65.999 kJ/mol; (19)Boiling Point: 408.02 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(OCCOCCOC(=O)c1ccccc1)c2ccccc2;
(2)Std. InChI:InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2;
(3)Std. InChIKey:NXQMCAOPTPLPRL-UHFFFAOYSA-N.
The toxicity data of Diethylene glycol dibenzoate are as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 20mL/kg (20mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. Link to PubMed | |
| rat | LD50 | oral | 2830mg/kg (2830mg/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. Link to PubMed |