Octanohydroxamic acid
Basic information
- CAS
7377-03-9- Standard SMILES
CCCCCCCC(=O)NO- InChIKey
RGUVUPQQFXCJFC-UHFFFAOYSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.12592879
Overview
used as ruminal urease inhibitor; structure; RN given refers to unlabeled parent cpd
Names & identifiers
- Preferred name
- Octanohydroxamic acid
- IUPAC
- N-hydroxyoctanamide
- English name
- Octanohydroxamic Acid
- Molecular formula
- C8H17NO2
- Molecular weight
- 159.23
Names & synonyms
OCTANOHYDROXAMIC ACIDN-Hydroxyoctanamide7377-03-9Caprylohydroxamic acidOctanamide, N-hydroxy-Caprylhydroxamic acidOctanoylhydroxamic acidUPY805K99WDTXSID8074609RefChem:167792DTXCID5047582230-936-7
Show more names
CAPRYLHYDROXAMIChydroximic acidn-hydroxy-octanamidHOHA
Taselinoctanehydroxamic acidMFCD00143918OctanohydroxamsaeureOctanohydroximic acidCaprylohydroxamicacidEINECS 230-936-7BRN 1703666
Database identifiers
- CAS
7377-03-9- PubChem CID
- 23846
- DTXSID
DTXSID8074609- UNII
- UPY805K99W
- EC Number
- 230-936-7
- Nikkaji
- J10.697F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Experimental & physicochemical properties
CosmeticsCosmetic ingredients (Caprylhydroxamic Acid) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 78 °C · 78°C
- Density
- 0.97 · 0.970
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.56 · 9.56±0.20(Predicted)
- color
- White to Off-White
- Cosmetics Ingredients Functions
- CHELATING
- Cosmetic Ingredient Review (CIR)
- Octanohydroxamic Acid (7377-03-9)
- InChI
- InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8(10)9-11/h11H,2-7H2,1H3,(H,9,10)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 96% (143 of 149) of all reports.
Not Classified
Aggregated GHS information provided per 149 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Octanamide, N-hydroxy-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: N-hydroxyoctanamide (EC: 230-936-7)
Caprylhydroxamic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Octanamide, N-Hydroxy-
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- rtecs
- RG9900500
- hs_code
- 2928.00.5000
- risk_code
- 36/37/38
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Caprylhydroxamic Acid
Household ProductsInformation on 15 consumer products that contain Caprylhydroxamic Acid in the following categories is provided:
General Manufacturing InformationOctanamide, N-hydroxy-: ACTIVE
Applications
DescriptionOctanohydroxamic acid (OHA), the more common hydroxamate collector, has both an acid group (single bondNHOH) and basic group (single bond CO). The hydrogen in the acid group can be replaced by a metal ion and a dative bond from the basic group to form a chelate. Improved monazite flotation performance was reported when using OHA compared to the results obtained with sodium oleate. Flotation separation of monazite and calcite using OHA has been described in previous publications. OHA was the most potent urease inhibitor among saturated hydroxamic acid (HAs) with a calculated IC50 of 0.25±0.1mM compared to 8.67±1.3 and 0.50±0.2mM for Acetohydroxamic acid and heptanohydroxamic acid, respectively. Further increase in the chain length from 8 to 12 carbons negatively affected the potency of HAs[1].
UsesOctanohydroxamic Acid is used in preparation of Caprylohydroxamic Acid.
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…