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Basic Description
| Synonyms | 1-butanol (butyl alcohol) | 1-Butanol, 99.9% | 1-Butanol, ACS reagent, >=99.4% | CCS 203 | n-Butanol, Butan-1-ol, 1-Butanol | n-Butan-1-ol | BIDD:ER0611 | n-Propyl carbinol | Alcool butylique | CAS-71-36-3 | n Butanol | NCGC00090961-02 | NSC 62782 | WB09N |
|---|---|
| Specifications & Purity | GR |
| Storage Temp | Argon charged,Desiccated |
| Shipped In | Normal |
| Grade | GR |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
- Subclass Alcohols and polyols
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Alcohols and polyols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Primary alcohols |
| Alternative Parents | Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). |
| External Descriptors | a primary alcohol |
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Associated Targets(Human)
NR3C1
Tclin
Glucocorticoid receptor (14987 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CHAT
Tchem
Choline acetylase (63 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ALDH1A1
Tchem
Aldehyde dehydrogenase 1A1 (77053 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Lymphoblastoid cell (5959 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
APEX1
Tchem
DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Tetrahymena pyriformis (68 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Lithobates pipiens (29 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Oryctolagus cuniculus (11301 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| IUPAC Name | butan-1-ol |
|---|---|
| INCHI | InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 |
| InChIKey | LRHPLDYGYMQRHN-UHFFFAOYSA-N |
| Smiles | CCCCO |
| Isomeric SMILES | CCCCO |
| WGK Germany | 1 |
| RTECS | EO1400000 |
| UN Number | 1120 |
| Packing Group | II |
| Molecular Weight | 74.12 |
| Beilstein | 969148 |
| Reaxy-Rn | 969148 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969148&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2526290 |
Certificate of Analysis | May 16, 2025 | B400251 |
| E2526299 |
Certificate of Analysis | May 16, 2025 | B400251 |
| E2526261 |
Certificate of Analysis | May 16, 2025 | B400251 |
| E2526291 |
Certificate of Analysis | May 16, 2025 | B400251 |
| H2423053 |
Certificate of Analysis | Aug 08, 2024 | B400251 |
| H2423054 |
Certificate of Analysis | Aug 08, 2024 | B400251 |
| H2423052 |
Certificate of Analysis | Aug 08, 2024 | B400251 |
| K2314050 |
Certificate of Analysis | Jun 10, 2023 | B400251 |
| G2313337 |
Certificate of Analysis | Jun 10, 2023 | B400251 |
| F2428053 |
Certificate of Analysis | Jun 10, 2023 | B400251 |
| G2313331 |
Certificate of Analysis | Jun 10, 2023 | B400251 |
| G2313336 |
Certificate of Analysis | Jun 10, 2023 | B400251 |
| G2313350 |
Certificate of Analysis | Jun 10, 2023 | B400251 |
| E2416058 |
Certificate of Analysis | Jun 10, 2023 | B400251 |
| F2421058 |
Certificate of Analysis | Jun 10, 2023 | B400251 |
| I2203154 |
Certificate of Analysis | Aug 15, 2022 | B400251 |
| I2203155 |
Certificate of Analysis | Aug 15, 2022 | B400251 |
| I2203156 |
Certificate of Analysis | Aug 15, 2022 | B400251 |
| G2204040 |
Certificate of Analysis | Jul 06, 2022 | B400251 |
| F2221241 |
Certificate of Analysis | Jun 24, 2022 | B400251 |
| H2210024 |
Certificate of Analysis | Mar 15, 2022 | B400251 |
| E2226068 |
Certificate of Analysis | Mar 15, 2022 | B400251 |
| E2226084 |
Certificate of Analysis | Mar 15, 2022 | B400251 |
| E2226079 |
Certificate of Analysis | Mar 15, 2022 | B400251 |
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Chemical and Physical Properties
| Sensitivity | Moisture sensitive |
|---|---|
| Refractive Index | 1.3993 |
| Flash Point(°F) | 95 °F |
| Flash Point(°C) | 36-38℃ |
| Boil Point(°C) | 116-118°C |
| Melt Point(°C) | -90°C |
| Molecular Weight | 74.120 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 74.0732 Da |
| Monoisotopic Mass | 74.0732 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 13.100 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Alternative Products
-
n-Butanol（NBA）Starting at $22.90
-
1-Butanol（NBA）
Starting at $9.90
-
n-Butanol（NBA）
Starting at $24.90
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