Octanoyl chloride
Octanoyl chloride structure
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Common Name | Octanoyl chloride | ||
|---|---|---|---|---|
| CAS Number | 111-64-8 | Molecular Weight | 162.657 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 195.2±3.0 °C at 760 mmHg | |
| Molecular Formula | C8H15ClO | Melting Point | -63 °C | |
| MSDS | Chinese USA | Flash Point | 79.9±7.4 °C | |
| Symbol |
GHS05, GHS06 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Octanoyl chloride |
|---|---|
| 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 | 195.2±3.0 °C at 760 mmHg |
| Melting Point | -63 °C |
| Molecular Formula | C8H15ClO |
| Molecular Weight | 162.657 |
| Flash Point | 79.9±7.4 °C |
| Exact Mass | 162.081146 |
| PSA | 17.07000 |
| LogP | 3.64 |
| Vapour Pressure | 0.4±0.4 mmHg at 25°C |
| Index of Refraction | 1.433 |
| InChIKey | REEZZSHJLXOIHL-UHFFFAOYSA-N |
| SMILES | CCCCCCCC(=O)Cl |
| Water Solubility | REACTS |
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 DATAMUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H290-H315-H317-H318-H330 |
| Precautionary Statements | P260-P280-P284-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C:Corrosive; |
| Risk Phrases | R22;R34 |
| Safety Phrases | S26-S36/37/39-S45-S25 |
| RIDADR | UN 3265 8/PG 2 |
| WGK Germany | 3 |
| RTECS | RH1570000 |
| Packaging Group | II |
| Hazard Class | 8 |
| HS Code | 29159080 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~91%
Octanoyl chloride CAS#:111-64-8 |
| Literature: Synlett, , # 11 p. 1763 - 1765 |
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Octanoyl chloride CAS#:111-64-8 |
| Literature: Journal of Organic Chemistry, , vol. 69, # 1 p. 184 - 187 |
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~%
Octanoyl chloride CAS#:111-64-8 |
| Literature: Journal of the American Chemical Society, , vol. 132, # 14 p. 5002 - 5003 |
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~%
Octanoyl chloride CAS#:111-64-8 |
| Literature: Journal of the American Chemical Society, , vol. 42, p. 607 Journal of the American Chemical Society, , vol. 51, p. 869 |
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~%
Octanoyl chloride CAS#:111-64-8 |
| Literature: Journal of the Chemical Society, , p. 5386 - 5390 |
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Octanoyl chloride CAS#:111-64-8 |
| Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 76, p. 969,972 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 10 | |
CAS#:111013-41-3
CAS#:108377-41-9
CAS#:4747-81-3
CAS#:47162-00-5
CAS#:335-35-3
CAS#:335-57-9
CAS#:335-66-0
CAS#:335-36-4
CAS#:30711-41-2![S-[3-(Triethoxysilyl)propyl] octanethioate structure](https://image.chemsrc.com/caspic/152/220727-26-4.png)
CAS#:220727-26-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2915900090 |
|---|---|
| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Use of multivariate statistical techniques to optimize the separation of 17 capsinoids by ultra performance liquid chromatography using different columns.
Talanta 134 , 256-63, (2015) In this work a multivariate statistical tool (Derringer and Suich optimization) was proposed for the separation of seventeen capsinoids (natural and synthetic) using the UHPLC-DAD chromatography. Caps... |
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Engineering hydrophobically modified chitosan for enhancing the dispersion of respirable microparticles of levofloxacin.
Eur. J. Pharm. Biopharm. 88(3) , 816-29, (2014) The potential of amphiphilic chitosan formed by grafting octanoyl chains on the chitosan backbone for pulmonary delivery of levofloxacin has been studied. The success of polymer synthesis was confirme... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| caprylic chloride |
| n-Octanoyl Chloride |
| OCLANOYL CHLORIDE |
| MFCD00000766 |
| caprylyl chloride |
| EINECS 203-891-6 |
| caprylic acid chloride |
| OTCL |
| Caprylyl chlorid |
| N-CAPRYLY CHLORIDE |
| octanoicchloride |
| Octanoyl chloride |
| Xin chloride |
| capryloyl chloride |
| n-Caprylchloride |
| octanoic acid chloride |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of Octanoyl chloride? |
| A: SMILES notation of Octanoyl chloride is CCCCCCCC(=O)Cl. |
| Q: What are the upstream materials of Octanoyl chloride? |
| A: Related upstream materials(CAS) of Octanoyl chloride: 124-07-2;79-37-8;69151-13-9;6304-39-8;50966-31-9. |
| Q: What is the melting point of Octanoyl chloride? |
| A: Melting point of Octanoyl chloride is -63 °C. |
| Q: What is the polar surface area (PSA) of Octanoyl chloride? |
| A: Polar surface area (PSA) of Octanoyl chloride is 17.07000. |
| Q: What is the molecular weight of Octanoyl chloride? |
| A: Molecular weight of Octanoyl chloride is 162.657. |
| Q: What is the InChIKey of Octanoyl chloride? |
| A: InChIKey of Octanoyl chloride is REEZZSHJLXOIHL-UHFFFAOYSA-N. |
| Q: What is the LogP of Octanoyl chloride? |
| A: LogP of Octanoyl chloride is 3.64. |
| Q: What is the CAS number of Octanoyl chloride? |
| A: CAS number of Octanoyl chloride is 111-64-8. |
| Q: How is the water solubility of Octanoyl chloride? |
| A: Water solubility of Octanoyl chloride: REACTS. |
| Q: What are the downstream products of Octanoyl chloride? |
| A: Related downstream products(CAS) of Octanoyl chloride: 111013-41-3;108377-41-9;4747-81-3;47162-00-5;335-35-3;335-57-9;335-66-0;335-36-4;30711-41-2;220727-26-4. |
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. |