| Chemical & Physical Properties | |
|---|---|
| CAS Number | 871-91-0 |
| Catalog No. | 2A-0149917 |
| Chinese Name | 7-辛炔-1-醇 |
| Synonyms | 7-Octyn-1-ol; 2-octyn-1-ol |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.20 |
| Purity | 96+ |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 191.5±23.0 °C at 760 mmHg |
| Appearance | solid |
| Storage Condition | Store under inert gas; avoid air |
| Application | 7-Octan-1-ol is the precursor of 7-suberic acid. The oxidation of 7-octan-1-ol produces 7-suberic acid [1]. |
| EINECS | 0 |
| HTC | 2905290000 |
| UN(IATA) | 0 |
| PubChem ID | 329826337 |
| MDL Number | MFCD01632137 |
| SMILES | OCCCCCCC#C |
| InChI | 1S/C8H14O/c1-2-3-4-5-6-7-8-9/h1,9H,3-8H2 |
| InChI Key | ATCNYMVVGBLQMQ-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| Hazard Symbols | transportation |
| MSDS | msds/149917_1_871_91_0.pdf |
| Bioactivity | 7-Octyn-1-ol is the precursor to 7-octynoic acid. 7-Octyn-1-ol oxidation results in 7-octynoic acid[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Reed CS, et al. Modulating the development of E. coli biofilms with 2-aminoimidazoles. Bioorg Med Chem Lett. 2010 Nov 1;20(21):6310-2. Chemical & Physical Properties Density 0.9±0.1 g/cm3 Boiling Point 191.5±23.0 °C at 760 mmHg Molecular Formula C8H14O Molecular Weight 126.196 Flash Point 116.3±14.9 °C Exact Mass 126.104462 PSA 20.23000 LogP 1.65 Vapour Pressure 0.1±0.8 mmHg at 25°C Index of Refraction 1.455 InChIKey ATCNYMVVGBLQMQ-UHFFFAOYSA-N SMILES C#CCCCCCCO |
| Use of | 7-Octyn-1-ol is the precursor to 7-octynoic acid. 7-Octyn-1-ol oxidation results in 7-octynoic acid[1]. Properties Name oct-7-yn-1-ol Synonym More Synonyms 7-Octyn-1-ol Biological Activity Description 7-Octyn-1-ol is the precursor to 7-octynoic acid. 7-Octyn-1-ol oxidation results in 7-octynoic acid[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Reed CS, et al. Modulating the development of E. coli biofilms with 2-aminoimidazoles. Bioorg Med Chem Lett. 2010 Nov 1;20(21):6310-2. Chemical & Physical Properties Molecular Formula C8H14O Exact Mass 126.104462 PSA 20.23000 Index of Refraction 1.455 InChIKey ATCNYMVVGBLQMQ-UHFFFAOYSA-N SMILES C#CCCCCCCO |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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