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120-55-8

Basic Information
CAS No.: 120-55-8
Name: Diethylene glycol dibenzoate
Molecular Structure:
Molecular Structure of 120-55-8 (Diethylene glycol dibenzoate)
Formula: C18H18O5
Molecular Weight: 314.36
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
Hazard Symbols:
Risk Codes:
Safety: 24/25
Transport Information:
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
ConditionsYield
Heating;100%
65-85-0

benzoic acid

111-46-6

diethylene glycol

120-55-8

diethyleneglycol dibenzoate

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With sodium hydroxide
With pyridine
532-32-1

sodium benzoate

111-44-4

3-oxa-1,5-dichloropentane

120-55-8

diethyleneglycol dibenzoate

Conditions
ConditionsYield
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
ConditionsYield
With diethylamine at 140℃;
120-55-8

diethyleneglycol dibenzoate

22513-32-2

acid sodium salt of benzohydroxamic acid

Conditions
ConditionsYield
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