Product Name

  • Name

    Dibutyl sebacate

  • EINECS 203-672-5
  • CAS No. 109-43-3
  • Article Data20
  • CAS DataBase
  • Density 0.945 g/cm3
  • Solubility 50mg/L(temperature not stated)
  • Melting Point -10 ºC
  • Formula C18H34O4
  • Boiling Point 351.3 ºC at 760 mmHg
  • Molecular Weight 314.466
  • Flash Point 157.5 ºC
  • Transport Information
  • Appearance clear liquid
  • Safety 26-36/37
  • Risk Codes 36/37/38-40
  • Molecular Structure Molecular Structure of 109-43-3 (Dibutyl sebacate)
  • Hazard Symbols IrritantXi
  • 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;
  • PSA 52.60000
  • LogP 4.79380

Synthetic route

1,10-decanedioic acid
111-20-6

1,10-decanedioic acid

butan-1-ol
71-36-3

butan-1-ol

dibutyl sebacate
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
1,10-decanedioic acid
111-20-6

1,10-decanedioic acid

n-butyl formate
592-84-7

n-butyl formate

A

Decanedioic acid monobutyl ester
5278-98-8

Decanedioic acid monobutyl ester

B

dibutyl sebacate
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%
...Expand
sebacoyl chloride
111-19-3

sebacoyl chloride

butan-1-ol
71-36-3

butan-1-ol

dibutyl sebacate
109-43-3

dibutyl sebacate

1-bromo-butane
109-65-9

1-bromo-butane

1,10-decanedioic acid
111-20-6

1,10-decanedioic acid

A

Decanedioic acid monobutyl ester
5278-98-8

Decanedioic acid monobutyl ester

B

dibutyl sebacate
109-43-3

dibutyl sebacate

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

scrap tire

A

pyrene
129-00-0

pyrene

B

dibutyl sebacate
109-43-3

dibutyl sebacate

C

1,3-diphenylbenzene
92-06-8

1,3-diphenylbenzene

D

2-benzylnaphthalene
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;
...Expand
octa-1,3-diene
1002-33-1

octa-1,3-diene

carbon monoxide
201230-82-2

carbon monoxide

butan-1-ol
71-36-3

butan-1-ol

dibutyl sebacate
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;
...Expand
dibutyl sebacate
109-43-3

dibutyl sebacate

A

1,10-decanedioic acid
111-20-6

1,10-decanedioic acid

B

Decanedioic acid monobutyl ester
5278-98-8

Decanedioic acid monobutyl ester

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

dibutyl sebacate

hexachloroethane
67-72-1

hexachloroethane

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

dibutyl sebacate

BIGUANIDE
56-03-1

BIGUANIDE

6,6'-octane-1,8-diyl-bis-[1,3,5]triazine-2,4-diamine
4128-90-9

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

dibutyl sebacate
109-43-3

dibutyl sebacate

benzyl alcohol
100-51-6

benzyl alcohol

decanedioic acid benzyl ester-butyl ester
22288-36-4

decanedioic acid benzyl ester-butyl ester

Conditions
ConditionsYield
With sodium methylate
dibutyl sebacate
109-43-3

dibutyl sebacate

toluene
108-88-3

toluene

butan-1-ol
71-36-3

butan-1-ol

sodium

sodium

1,10-Decanediol
112-47-0

1,10-Decanediol

...Expand
dibutyl sebacate
109-43-3

dibutyl sebacate

fumaroyl azide

fumaroyl azide

trans-ethenediyl diisocyanate
1441-73-2

trans-ethenediyl diisocyanate

tetrachloromethane
56-23-5

tetrachloromethane

dibutyl sebacate
109-43-3

dibutyl sebacate

sodium

sodium

2-hydroxy-cyclodecanone-(1)

2-hydroxy-cyclodecanone-(1)

Conditions
ConditionsYield
at 125 - 140℃;
...Expand

Dibutyl sebacate Consensus Reports

Reported in EPA TSCA Inventory.

Dibutyl sebacate 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.

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