Diethyl isopropylidenemalonate
Diethyl isopropylidenemalonate structure
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Common Name | Diethyl isopropylidenemalonate | ||
|---|---|---|---|---|
| CAS Number | 6802-75-1 | Molecular Weight | 200.232 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 242.8±0.0 °C at 760 mmHg | |
| Molecular Formula | C10H16O4 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 109.4±0.0 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Diethyl isopropylidenemalonate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 242.8±0.0 °C at 760 mmHg |
| Molecular Formula | C10H16O4 |
| Molecular Weight | 200.232 |
| Flash Point | 109.4±0.0 °C |
| Exact Mass | 200.104858 |
| PSA | 52.60000 |
| LogP | 2.79 |
| Vapour Pressure | 0.0±0.4 mmHg at 25°C |
| Index of Refraction | 1.446 |
| InChIKey | WEISAZNMMVPNTH-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(C(=O)OCC)=C(C)C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Safety Phrases | S23-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2917190090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 10 | |
CAS#:105-53-3
CAS#:13830-91-6
CAS#:67-64-1
CAS#:594-71-8
CAS#:996-82-7
CAS#:82571-90-2
CAS#:609-09-6
CAS#:87-13-8
CAS#:106352-19-6
CAS#:3177-74-0
CAS#:496-77-5
CAS#:2919-23-5
CAS#:85979-94-8
CAS#:82004-45-3
CAS#:28080-86-6
CAS#:26430-97-7
CAS#:26430-98-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2917190090 |
|---|---|
| Summary | 2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Terminal bifunctional retinoids. Synthesis and evaluations related to cancer chemopreventive activity.
J. Med. Chem. 31(6) , 1124-30, (1988) Retinoids that have two functional groups at the side-chain terminus have been synthesized. The two terminal functional groups are combinations of the carboxyl, carbethoxy, and N-(ethylamino)carbonyl ... |
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Reduction of alkylidenecyanoacetates with sodium borohydride. Marshall JA and Carroll RD.
J. Org. Chem. 30(8) , 2748-54, (1965)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Diethyl isopropylidenemalonate |
| diethyl 2-propan-2-ylidenepropanedioate |
| EINECS 229-876-4 |
| Propanedioic acid, (1-methylethylidene)-, diethyl ester |
| Malonic acid, isopropylidene-, diethyl ester |
| Propanedioic acid, 2-(1-methylethylidene)-, diethyl ester |
| MFCD00009147 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of Diethyl isopropylidenemalonate? |
| A: LogP of Diethyl isopropylidenemalonate is 2.79. |
| Q: What is the molecular formula of Diethyl isopropylidenemalonate? |
| A: Molecular formula of Diethyl isopropylidenemalonate is C10H16O4. |
| Q: What are the downstream products of Diethyl isopropylidenemalonate? |
| A: Related downstream products(CAS) of Diethyl isopropylidenemalonate: 106352-19-6;3177-74-0;496-77-5;2919-23-5;85979-94-8;82004-45-3;105-53-3;28080-86-6;26430-97-7;26430-98-8. |
| Q: What is the InChIKey of Diethyl isopropylidenemalonate? |
| A: InChIKey of Diethyl isopropylidenemalonate is WEISAZNMMVPNTH-UHFFFAOYSA-N. |
| Q: What is the molecular weight of Diethyl isopropylidenemalonate? |
| A: Molecular weight of Diethyl isopropylidenemalonate is 200.232. |
| Q: What is the CAS number of Diethyl isopropylidenemalonate? |
| A: CAS number of Diethyl isopropylidenemalonate is 6802-75-1. |
| Q: What English synonyms does Diethyl isopropylidenemalonate have? |
| A: English synonyms of Diethyl isopropylidenemalonate: Diethyl isopropylidenemalonate, diethyl 2-propan-2-ylidenepropanedioate, EINECS 229-876-4, Propanedioic acid, (1-methylethylidene)-, diethyl ester, Malonic acid, isopropylidene-, diethyl ester, Propanedioic acid, 2-(1-methylethylidene)-, diethyl ester, MFCD00009147. |
| Q: What is the English name of Diethyl isopropylidenemalonate? |
| A: The English name of Diethyl isopropylidenemalonate is Diethyl isopropylidenemalonate. |
| Q: What is the SMILES notation of Diethyl isopropylidenemalonate? |
| A: SMILES notation of Diethyl isopropylidenemalonate is CCOC(=O)C(C(=O)OCC)=C(C)C. |
| Q: What is the safety information for Diethyl isopropylidenemalonate? |
| A: Safety information for Diethyl isopropylidenemalonate: S23-S24/25. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |