1,10-dibutyl decanedioate

• ChemBase ID: 104612
• Molecular Formular: C18H34O4
• Molecular Mass: 314.46016
• Monoisotopic Mass: 314.24570957
• SMILES: CCCCOC(=O)CCCCCCCCC(=O)OCCCC
• Canonical SMILES: CCCCOC(=O)CCCCCCCCC(=O)OCCCC
• 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
• InChIKey: PYGXAGIECVVIOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-dibutyl decanedioate
• IUPAC Traditional name: dibutyl sebacate; DBS
• Synonyms: Di-n-butyl decanedioate; Di-n-butyl sebacate; Decanedioic Acid 1,10-Dibutyl Ester; Decanedioic Acid Dibutyl Ester; Bis(n-butyl) Sebacate; DBS; 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; Dibutyl Sebacate; Dibutyl sebacate; Dibutyl sebacate; SEBACIC ACID DIBUTYL ESTER; Sebacic acid dibutyl ester; 癸二酸二丁酯; 癸二酸二正丁酯

Database IDs

• CAS Number: 109-43-3
• EC Number: 203-672-5
• MDL Number: MFCD00027218
• Beilstein Number: 1798308
• PubChem SID: 24893909; 24888276; 24888275; 162091611; 24899536
• PubChem CID: 7986

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.208515
• LogD (pH = 7.4): 5.208515
• Log P: 5.208515
• Molar Refractivity: 88.4284 cm^3
• Polarizability: 35.41162 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: hexane, toluene, ethanol and acetone: soluble; water and propylene glycol: insoluble
• Melting Point: -11°C
• Boiling Point: 178-179 °C/3 mmHg(lit.); 344-345°C
• Flash Point: 178 °C; 178°C(352°F); 352.4 °F
• Density: 0.936 g/mL at 25 °C(lit.); 0.94; 0.94 g/ml
• Refractive Index: 1.441; n20/D 1.441; n20/D 1.441(lit.)
• Vapor Pressure: 3 mm Hg at 180 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: VS1150000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: >90%; ≥90%; ≥97.0%; ≥97.0% (GC); ≥98.0%; 94%
• Grade: SAJ first grade; Selectophore™; technical grade
• Linear Formula: [-(CH2)4CO2(CH2)3CH3]2

DETAILS

MP Biomedicals - 02156592

Purity: >90%
1 ml = approx. 0.94 g

Sigma Aldrich - D49504

Application
Plasticizer
Packaging
1 L in poly bottle
250 mL in poly bottle

Sigma Aldrich - 84840

Packaging
1 L in glass bottle
250 mL in glass bottle

Sigma Aldrich - 84838

General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

Toronto Research Chemicals - D429525

Dibutyl sebacate (DBS) is a dibutyl ester of sebacic acid. Dibutyl sebacate can be used for plastics in use in the food packaging industry, in plastics used for medical devices, and for pharmaceutical applications. Dibutyl sebacate is also used as a desen

REFERENCES

• Eriksson, M., et al.: Plant Physiol., 132, 732 (2003)
• ,,Beuve, N., et al.: Plant Cell Environ., 27, 1035 (2003)