Diethylene glycol dibenzoate supplier

Name
Diethylene glycol dibenzoate
EINECS 204-407-6
CAS No. 120-55-8
Article Data17
CAS DataBase
Density 1.183 g/cm³
Solubility 微溶于水，溶于一般有机溶剂
Melting Point 24 °C
Formula C₁₈H₁₈O₅
Boiling Point 408 °C at 760 mmHg
Molecular Weight 314.338
Flash Point 173 °C
Transport Information
Appearance clear liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 61.83000
LogP 2.71700

Synthetic route

: 86491-79-4
1,9,12,20-Tetraphenyl-2,5,8,10,11,13,16,19,21,22-decaoxa-tricyclo[18.2.0.09,12]docosane

: 120-55-8
diethyleneglycol dibenzoate

Conditions

Conditions	Yield
Heating;	100%

: 65-85-0
benzoic acid

: 111-46-6
diethylene glycol

: 120-55-8
diethyleneglycol dibenzoate

Conditions

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

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 75 - 80℃; for 6h;	80%

: 98-88-4
benzoyl chloride

: 111-46-6
diethylene glycol

: 120-55-8
diethyleneglycol dibenzoate

Conditions

Conditions	Yield
With sodium hydroxide
With pyridine

: 532-32-1
sodium benzoate

: 111-44-4
3-oxa-1,5-dichloropentane

: 120-55-8
diethyleneglycol dibenzoate

Conditions

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

Conditions	Yield
With diethylamine at 140℃;

...Expand

: 120-55-8
diethyleneglycol dibenzoate

: 22513-32-2
acid sodium salt of benzohydroxamic acid

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; sodium hydroxide at 33℃; for 0.25h; Temperature;	88.91%

Diethylene glycol dibenzoate Consensus Reports

Diethylene glycol dibenzoate is reported in EPA TSCA Inventory. Glycol ether compounds are on the Community Right-To-Know List.

Diethylene glycol dibenzoate 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

Product Name

Diethylene glycol dibenzoate

Synthetic route

Diethylene glycol dibenzoate Consensus Reports

Diethylene glycol dibenzoate Specification

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