106-79-6
Product Name:
Dimethyl sebacate
Formula:
C12H22O4
Synonyms:
Decanedioic acid 1,10-dimethyl ester;Dimethyl decanedioate;NSC 9415;Sebacic acid dimethyl ester
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; mp = 25-28 deg C; [Alfa Aesar MSDS] |
|---|---|
| Collision Cross Section | 159.71 Ų [M+Na]+ |
| Kovats Retention Index | 1611 1612 1611 1619 1631 1620 1619 1613 1613 1613 1614 1645 1627 1646 1616 1615 1621.4 1616 1645 1634 1612 1612 282.9 283 283 |
| Chemical Classes | Other Classes -> Esters, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 230.30 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Exact Mass | 230.15180918 g/mol |
| Monoisotopic Mass | 230.15180918 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 179 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Dimethyl sebacate is a fatty acid methyl ester that is sebacic acid in which both carboxy groups are replaced by methoxycarbonyl groups. It has a role as a plasticiser and a plant metabolite. It is a fatty acid methyl ester and a diester. It is functionally related to a sebacic acid.