Monomethyl sebacate

HCID 69957
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Substructure searchFind similar structures

Basic information

CAS
818-88-2
Standard SMILES
COC(=O)CCCCCCCCC(=O)O
InChIKey
OSYQOBUUFRGFNG-UHFFFAOYSA-N
Molecular formula
C11H20O4
Average molar mass
216.27 g/mol
Monoisotopic mass
216.13615912

Overview

Sebacic acid monomethyl ester is a medium-chain fatty acid.

Names & identifiers

Preferred name
Monomethyl sebacate
IUPAC
10-methoxy-10-oxodecanoic acid
English name
SEBACIC ACID MONOMETHYL ESTER
Molecular formula
C11H20O4
Molecular weight
216.27

Names & synonyms

818-88-2Sebacic acid monomethyl esterMonomethyl SebacateMethyl hydrogen sebacateDecanedioic acid, monomethyl ester8PZ9NUI78JMONOMETHYL DECANEDIOATE9-(methoxycarbonyl)nonanoic acidAI3-11759Decanedioic acid, 1-methyl esterEINECS 212-458-0SEBACIC ACID, MONOMETHYL ESTER
Show more names
MonomethylSebacate>METHYL HYDROGEN SEBACATEMonomethyl sebacate（MMS）MMS (mono-methyl sebacate)decyldiacidmonomethyl esterMONOMETHYL DECANE-1,10-DIOATE
Decanoic acid, monomethyl esterMETHYL 9-CARBOXYNONANOATESEBACIC ACID, METHYL ESTER9-(CARBOMETHOXY)NONANOIC ACIDDECANEDIOIC ACID METHYL HYDROGEN ESTERRefChem:819334212-458-010-Methoxy-10-oxodecanoic acid

Database identifiers

CAS
818-88-2
PubChem CID
69957
DTXSID
DTXSID401002231
ChEBI
CHEBI:191166
UNII
8PZ9NUI78J
EC Number
212-458-0
Nikkaji
J21.784K

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
15

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Other Organic Compounds
Physical DescriptionWhite solid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
41 · 41-44 °C(lit.)
Boiling point
168 · 168-170 °C3 mm Hg(lit.)
Density
0.9825 · 0.9825 (rough estimate)
refractive index
1.425 · 1.4250 (estimate)
Flash point
110 °C · 110 °C
storage temp.
Store at room temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazards SummaryMay cause mild eye irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
hs_code
2917.19.7050
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
22-24/25
Hazard statements
H315-H319

Chemistry & industry

Upstream & downstream products

Suppliers100 total

上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Additional notes

DefinitionChEBI: Sebacic acid monomethyl ester is a medium-chain fatty acid.

Related reactions

5 records
New reaction record

Compound notes

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