dioctadecyl 3,3'-thiodipropanoate structure
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Common Name | dioctadecyl 3,3'-thiodipropanoate | ||
|---|---|---|---|---|
| CAS Number | 693-36-7 | Molecular Weight | 683.163 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 704.8±45.0 °C at 760 mmHg | |
| Molecular Formula | C42H82O4S | Melting Point | 65-67°C | |
| MSDS | N/A | Flash Point | 323.7±16.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Dioctadecyl 3,3'-Thiodipropionate |
|---|---|
| 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 | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 704.8±45.0 °C at 760 mmHg |
| Melting Point | 65-67°C |
| Molecular Formula | C42H82O4S |
| Molecular Weight | 683.163 |
| Flash Point | 323.7±16.7 °C |
| Exact Mass | 682.593384 |
| PSA | 77.90000 |
| LogP | 19.26 |
| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
| Index of Refraction | 1.473 |
| InChIKey | PWWSSIYVTQUJQQ-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36/37/39 |
| RIDADR | NONH for all modes of transport |
| RTECS | UF8010000 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~78%
dioctadecyl 3,3... CAS#:693-36-7 |
| Literature: Kumar, Anil; Tilak, B. D. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1986 , vol. 25, p. 880 - 882 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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.
| EINECS 211-750-5 |
| Dioctadecyl 3,3'-sulfanediyldipropanoate |
| dioctadecyl 3,3'-thiodipropanoate |
| MFCD00026684 |
| Propanoic acid, 3,3'-thiobis-, dioctadecyl ester |
| Distearyl thiodipropionate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of Dioctadecyl 3,3'-Thiodipropionate? |
| A: Molecular formula of Dioctadecyl 3,3'-Thiodipropionate is C42H82O4S. |
| Q: What is the safety information for Dioctadecyl 3,3'-Thiodipropionate? |
| A: Safety information for Dioctadecyl 3,3'-Thiodipropionate: S26-S36/37/39. |
| Q: What is the InChIKey of Dioctadecyl 3,3'-Thiodipropionate? |
| A: InChIKey of Dioctadecyl 3,3'-Thiodipropionate is PWWSSIYVTQUJQQ-UHFFFAOYSA-N. |
| Q: What is the melting point of Dioctadecyl 3,3'-Thiodipropionate? |
| A: Melting point of Dioctadecyl 3,3'-Thiodipropionate is 65-67°C. |
| Q: What is the boiling point of Dioctadecyl 3,3'-Thiodipropionate? |
| A: Boiling point of Dioctadecyl 3,3'-Thiodipropionate is 704.8±45.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of Dioctadecyl 3,3'-Thiodipropionate? |
| A: SMILES notation of Dioctadecyl 3,3'-Thiodipropionate is CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC. |
| Q: What is the CAS number of Dioctadecyl 3,3'-Thiodipropionate? |
| A: CAS number of Dioctadecyl 3,3'-Thiodipropionate is 693-36-7. |
| Q: What is the molecular weight of Dioctadecyl 3,3'-Thiodipropionate? |
| A: Molecular weight of Dioctadecyl 3,3'-Thiodipropionate is 683.163. |
| Q: What are the upstream materials of Dioctadecyl 3,3'-Thiodipropionate? |
| A: Related upstream materials(CAS) of Dioctadecyl 3,3'-Thiodipropionate: 111-17-1;112-92-5. |
| Q: What is the LogP of Dioctadecyl 3,3'-Thiodipropionate? |
| A: LogP of Dioctadecyl 3,3'-Thiodipropionate is 19.26. |
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. |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |