Dimethyl adipate

Modify Date: 2026-07-01 20:03:10

Dimethyl adipate Structure
Dimethyl adipate structure
 Common Name Dimethyl adipate
CAS Number 627-93-0 Molecular Weight 174.194
Density 1.0±0.1 g/cm3 Boiling Point 228.7±0.0 °C at 760 mmHg
Molecular Formula C8H14O4 Melting Point 8 °C(lit.)
MSDS Chinese USA Flash Point 107.2±0.0 °C

 Names

Name Dimethyl adipate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 228.7±0.0 °C at 760 mmHg
Melting Point 8 °C(lit.)
Molecular Formula C8H14O4
Molecular Weight 174.194
Flash Point 107.2±0.0 °C
Exact Mass 174.089203
PSA 52.60000
LogP 1.03
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.423
InChIKey UDSFAEKRVUSQDD-UHFFFAOYSA-N
SMILES COC(=O)CCCCC(=O)OC
Stability Stable. Combustible. Incompatible with strong oxidizing agents, acids, bases reducing agents.

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AV1645000
CHEMICAL NAME :
Adipic acid, dimethyl ester
CAS REGISTRY NUMBER :
627-93-0
BEILSTEIN REFERENCE NO. :
1707443
LAST UPDATED :
199712
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C8-H14-O4
MOLECULAR WEIGHT :
174.22
WISWESSER LINE NOTATION :
1OV4VO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1809 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1596,1973 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
362 mg/kg
SEX/DURATION :
female 5-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1596,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
181 mg/kg
SEX/DURATION :
female 5-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1596,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T1493 No. of Facilities: 2425 (estimated) No. of Industries: 18 No. of Occupations: 25 No. of Employees: 24766 (estimated) No. of Female Employees: 3381 (estimated)

 Safety Information

Personal Protective Equipment Eyeshields;Gloves
Hazard Codes Xi
Safety Phrases S24/25
RIDADR NONH for all modes of transport
WGK Germany 1
RTECS AV1645000
HS Code 29171290

 Synthetic Route

 Customs

HS Code 2917120090
Summary 2917120090. adipic acid and its salts. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

 Articles8

More Articles
Mixture risk assessment: a case study of Monsanto experiences.

Food Chem. Toxicol. 34(11-12) , 1139-45, (1996)

Monsanto employs several pragmatic approaches for evaluating the toxicity of mixtures. These approaches are similar to those recommended by many national and international agencies. When conducting ha...

Carboxylesterase-dependent cytotoxicity of dibasic esters (DBE) in rat nasal explants.

Toxicol. Appl. Pharmacol. 107(2) , 285-301, (1991)

Dibasic esters (DBE) are a solvent mixture of dimethyl adipate (DMA), dimethyl glutarate (DMG), and dimethyl succinate (DMS) used in the paint and coating industry. Subchronic inhalation toxicity stud...

Metabolism of dibasic esters by rat nasal mucosal carboxylesterase.

Drug Metab. Dispos. 19(1) , 124-9, (1991)

Inhalation exposure of rats to dibasic esters revealed lesions of the nasal olfactory epithelium similar to those observed with other ester solvents. Female rats are more sensitive to these effects th...

 Dimethyl adipateBioassay

View more

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
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 Synonyms

EINECS 211-020-6
MFCD00008469
dimethyl hexanedioate
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