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Basic Description
| Synonyms | 4-isopropylbenzyl alcohol | Cumic alcohol | 536-60-7 | Cuminol | cuminyl alcohol | (4-Isopropylphenyl)methanol | cuminic alcohol | Cumyl alcohol | p-Cymen-7-ol | CUMIN ALCOHOL | p-Isopropylbenzyl alcohol | Benzenemethanol, 4-(1-methylethyl)- | p-cumic alcohol | 4-(1-Methylethyl)be |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Monoterpenoids
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic monoterpenoids |
| Alternative Parents | Monocyclic monoterpenoids Phenylpropanes Cumenes Benzyl alcohols Primary alcohols Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Benzyl alcohol - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. |
| External Descriptors | a small molecule |
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Associated Targets(non-human)
Candida albicans (78123 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Nakaseomyces glabratus (9108 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Candida tropicalis (8381 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | (4-propan-2-ylphenyl)methanol |
|---|---|
| INCHI | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3 |
| InChIKey | OIGWAXDAPKFNCQ-UHFFFAOYSA-N |
| Smiles | CC(C)C1=CC=C(C=C1)CO |
| Isomeric SMILES | CC(C)C1=CC=C(C=C1)CO |
| WGK Germany | 2 |
| RTECS | GZ7260000 |
| Molecular Weight | 150.22 |
| Beilstein | 6(3)1911 |
| Reaxy-Rn | 636665 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636665&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Refractive Index | n20/D 1.519 (lit.) |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 113 °C |
| Boil Point(°C) | 135-136 °C/26 mmHg (lit.) |
| Melt Point(°C) | 2.9°C |
| Molecular Weight | 150.220 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 150.104 Da |
| Monoisotopic Mass | 150.104 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 101.000 |
| 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 |
Citations of This Product
| 1. Wen Zhang, Xu-Dong Wang, Xiao-Han Zhang, Rui Feng, Jun-Long Wang, Wei-Bao Kong, Ji Zhang, Jun-Yu Liang. (2023) Biological activities of Elsholtzia stauntoni essential oil and its major constituents against Tribolium castaneum larvae and Lasioderma serricorne adults. Journal of Essential Oil Bearing Plants, |
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