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109-43-3

Basic Information
CAS No.: 109-43-3
Name: Dibutyl sebacate
Article Data: 20
Molecular Structure:
Molecular Structure of 109-43-3 (Dibutyl sebacate)
Formula: C18H34O4
Molecular Weight: 314.466
Synonyms: Decanedioicacid, dibutyl ester (9CI);Sebacic acid, dibutyl ester (6CI,8CI);Bis(n-butyl)sebacate;Di-n-Butyl sebacate;Dibutyl decanedioate;Ergoplast SDB;Kodaflex DBS;NSC 3893;PX 404;Polycizer DBS;Reomol DBS;Sebacic acid di-n-butyl ester;Staflex DBS;Uniflex DBS;Decanedioic acid,1,10-dibutyl ester;
EINECS: 203-672-5
Density: 0.945 g/cm3
Melting Point: -10 ºC
Boiling Point: 351.3 ºC at 760 mmHg
Flash Point: 157.5 ºC
Solubility: 50mg/L(temperature not stated)
Appearance: clear liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-40
Safety: 26-36/37
PSA: 52.60000
LogP: 4.79380
Synthetic route
111-20-6

1,10-decanedioic acid

71-36-3

butan-1-ol

109-43-3

dibutyl sebacate

Conditions
ConditionsYield
With triflic acid on silica-encapsulated superparamagnetic iron oxide nanoparticles In neat (no solvent) at 90℃; for 0.25h; Catalytic behavior; Time; Reagent/catalyst; Flow reactor; Green chemistry;96%
With Candida antarctica lipase B In cyclohexane at 45℃; for 6h;80%
With hydrogenchloride; benzene
111-20-6

1,10-decanedioic acid

592-84-7

n-butyl formate

A

5278-98-8

Decanedioic acid monobutyl ester

B

109-43-3

dibutyl sebacate

Conditions
ConditionsYield
With Dowex 50W-X2 (50-100 mesh) In octane at 100℃; for 4.33333h;A 93%
B 4%
With Dowex 50Wx2 In octane at 100℃; for 4.33333h; Esterification;A 93%
B 4%
111-19-3

sebacoyl chloride

71-36-3

butan-1-ol

109-43-3

dibutyl sebacate

109-65-9

1-bromo-butane

111-20-6

1,10-decanedioic acid

A

5278-98-8

Decanedioic acid monobutyl ester

B

109-43-3

dibutyl sebacate

Conditions
ConditionsYield
With sodium hydroxide; Aliquat 336 In toluene for 24h; Heating;
scrap tire

scrap tire

A

129-00-0

pyrene

B

109-43-3

dibutyl sebacate

C

92-06-8

1,3-diphenylbenzene

D

613-59-2

2-benzylnaphthalene

Conditions
ConditionsYield
With air at 650 - 850℃; Oxidation; Formation of xenobiotics; Further byproducts given. Title compound not separated from byproducts;
1002-33-1

octa-1,3-diene

201230-82-2

carbon monoxide

71-36-3

butan-1-ol

109-43-3

dibutyl sebacate

Conditions
ConditionsYield
With palladium(II) trifluoroacetate; HeMaRaphos; toluene-4-sulfonic acid In toluene at 120℃; under 30003 Torr; for 24h; regioselective reaction;
109-43-3

dibutyl sebacate

A

111-20-6

1,10-decanedioic acid

B

5278-98-8

Decanedioic acid monobutyl ester

Conditions
ConditionsYield
With diethyl ether; water; sodium butanolate
109-43-3

dibutyl sebacate

67-72-1

hexachloroethane

Conditions
ConditionsYield
bei der Chlorierung im Sonnenlicht;
109-43-3

dibutyl sebacate

56-03-1

BIGUANIDE

4128-90-9

6,6'-octane-1,8-diyl-bis-[1,3,5]triazine-2,4-diamine

109-43-3

dibutyl sebacate

100-51-6

benzyl alcohol

22288-36-4

decanedioic acid benzyl ester-butyl ester

Conditions
ConditionsYield
With sodium methylate
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    Product name: Dibutyl Sebacate CAS No.:109-43-3 Molecule Formula:C18H34O4 Molecule Weight:314.46 Purity: 99.0% Package: 200kg/drum Description:Colorless transparent liquid Manufacture Standards:Enterprise Standard

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  • Dibutyl sebacate CAS NO.109-43-3  CAS NO.109-43-3

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Dibutyl sebacate, with its CAS registry number 109-43-3, has the IUPAC name of dibutyl decanedioate. For being a kind of clear liquid, its product categories are including pharmacetical; Piperazine derivates; Fatty Acid Esters (Plasticizer); Functional Materials; Plasticizer.

The physical properties of this chemical are as below: (1)ACD/LogP: 5.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/LogD (pH 7.4): 5.97; (5)ACD/BCF (pH 5.5): 20454.2; (6)ACD/BCF (pH 7.4): 20454.2; (7)ACD/KOC (pH 5.5): 42388.15; (8)ACD/KOC (pH 7.4): 42388.15; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 52.6; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 88.99 cm3; (15)Molar Volume: 332.6 cm3; (16)Polarizability: 35.27×10-24 cm3; (17)Surface Tension: 33 dyne/cm; (18)Density: 0.945 g/cm3; (19)Flash Point: 157.5 °C; (20)Enthalpy of Vaporization: 59.6 kJ/mol; (21)Boiling Point: 351.3 °C at 760 mmHg; (22)Vapour Pressure: 4.14E-05 mmHg at 25°C; (23)Exact Mass: 314.24571; (24)MonoIsotopic Mass: 314.24571; (25)Topological Polar Surface Area: 52.6; (26)Heavy Atom Count: 22; (27)Complexity: 248.

When you are dealing with this chemical, you should be very careful. For one thing, it is irritant which may cause inflammation to the skin or other mucous membranes. And this is irritating to eyes, respiratory system and skin and may have limited evidence of a carcinogenic effect. For another thing, it is harmful which may cause damage to health. Therefore, you should wear suitable protective clothing and gloves. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCCCOC(=O)CCCCCCCCC(=O)OCCCC
(2)InChI: InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
(3)InChIKey: PYGXAGIECVVIOZ-UHFFFAOYSA-N 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC inhalation > 5400ug/m3/2H (5.4mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
mouse LD50 intraperitoneal 14700uL/kg (14.7mL/kg)   Journal of Biomedical Materials Research. Vol. 8, Pg. 11, 1974.
mouse LD50 oral 19500mg/kg (19500mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
rat LC inhalation > 5400ug/m3/4H (5.4mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
rat LD50 oral 14870mg/kg (14870mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LIVER: LIVER FUNCTION TESTS IMPAIRED
"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 69, 1999.