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Substance Name: Hexanedioic acid, dimethyl ester
RN: 627-93-0
UNII: BY71RX0R62
InChIKey: UDSFAEKRVUSQDD-UHFFFAOYSA-N
Classification Codes
- Reproductive Effect
- Tumor Data
Molecular Formula
- C8-H14-O4
Molecular Weight
- 174.195
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Adipic acid, dimethyl ester
- Dimethyl adipate
- Dimethyl hexanedioate
- Dimethyladipate
- Hexanedioic acid, dimethyl ester
Synonyms
- 1,6-Dimethylhexanedioate
- 4-02-00-01959 (Beilstein Handbook Reference)
- Adipic acid dimethyl ester
- AI3-00668
- BRN 1707443
- DBE 6
- Dimethyl adipate
- Dimethyl hexanedioate
- EC 211-020-6
- EINECS 211-020-6
- HSDB 5021
- Methyl adipate
- Methyl adipate (VAN)
- NSC 11213
- UNII-BY71RX0R62
Systematic Names
- Adipic acid, dimethyl ester
- Dimethyl adipate
- Hexanedioic acid, 1,6-dimethyl ester
- Hexanedioic acid, dimethyl ester
Superlist Names
- Adipic acid, dimethyl ester
- Dimethyl adipate
Registry Numbers
CAS Registry Number
- 627-93-0
FDA UNII
- BY71RX0R62
Other Registry Number
- 111366-61-1
System Generated Number
- 0000627930
Structure Descriptors
InChI
InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3InChIKey
UDSFAEKRVUSQDD-UHFFFAOYSA-NSmiles
COC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 1809uL/kg (1.809mL/kg) | Journal of Pharmaceutical Sciences. Vol. 62, Pg. 1596, 1973. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 10.3 | deg C | EXP | |
| log P (octanol-water) | 1.03 | (none) | EXP | |
| Water Solubility | 6000 | mg/L | EXP | |
| Henry's Law Constant | 2.31E-06 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 8.40E-12 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.