Dimethyl heptanedioate

HCID 74416
NotesReactions
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Basic information

CAS
1732-08-7
Standard SMILES
COC(=O)CCCCCC(=O)OC
InChIKey
SHWINQXIGSEZAP-UHFFFAOYSA-N
Molecular formula
C9H16O4
Average molar mass
188.22 g/mol
Monoisotopic mass
188.10485899

Names & identifiers

Preferred name
Dimethyl heptanedioate
IUPAC
dimethyl heptanedioate
English name
DIMETHYL PIMELATE
Molecular formula
C9H16O4
Molecular weight
188.22

Names & synonyms

Dimethyl pimelate1732-08-7Dimethyl heptanedioateHeptanedioic acid, dimethyl esterPimelic acid, dimethyl esterPimelic acid dimethyl esterdimethyl 1,7-heptanedioateHeptanedioic acid, 1,7-dimethyl esterNSC-52563GE1PF3049FAI3-32541EINECS 217-057-4
Show more names
C9H16O4Dimethyl pyrromateDimethylPimelate>Dimethyl pimelate 99%Dimethyl pimelate,97%Pimelic acid dimethylDIMETHYL HEPTANE DIONATEheptyldiacidimethyl ester
NSC 52563DTXSID8061925RefChem:588271DTXCID6035526Pimelic acid, dimethyl ester (8CI)217-057-4InChI=1/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2HMFCD00008470

Database identifiers

CAS
1732-08-7
PubChem CID
74416
DTXSID
DTXSID8061925
UNII
GE1PF3049F
EC Number
217-057-4
Nikkaji
J576B

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
13

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity
LogP1.38

Physicochemical properties

Melting point
-21 °C · -21°C
Boiling point
121 · 121-122 °C/11 mmHg (lit.)
Density
1.041 g/mL · 1.041 g/mL at 25 °C (lit.)
vapor pressure
6.13 Pa · 6.13Pa at 25℃
refractive index
20 · n20/D 1.431(lit.)
Flash point
230 °F · >230 °F

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Regulatory InformationStatus: Active Update: 29-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23740
Hazard Classes and CategoriesNot Classified

Safety data

PPE
Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
2917.19.7050
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationHeptanedioic acid, 1,7-dimethyl ester: ACTIVE

Applications

DescriptionDimethyl pimelate (DMP) is valued as an important intermediate in pharmaceuticals, perfumes, lubricants, and other organic compounds. It was usually obtained by esterification from pimelic acid with alcohols[1].

UsesDimethyl pimelate was used as the internal standard in the analysis of phthalates, sebacates, epoxidized soybean oil (ESBO) and polyadipates after transesterification to the ethyl esters.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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