ACACIA, GUM (ACACIA SENEGAL (L.) WILLD.) (CHEM004568)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (25)XML
Record Information
Version1.0
Creation Date2016-05-19 01:51:56 UTC
Update Date2026-04-17 19:34:04 UTC
Accession NumberCHEM004568
Identification
Common NameACACIA, GUM (ACACIA SENEGAL (L.) WILLD.)
ClassSmall Molecule
DescriptionACACIA, GUM (ACACIA SENEGAL (L.) WILLD.) is an organic compound with the formula C15H20NNaO4 and an average molecular weight of 301.32 g/mol. ACACIA, GUM (ACACIA SENEGAL (L.) WILLD.) belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified under the superclass of benzenoids. This compound is utilized across various industrial applications. It serves as a stabilizing agent, thickening agent, emulsifier, and surfactant (surface active agent). In industrial processes, it is employed as a viscosity modifier, solvent, film former, and adhesion/cohesion promoter. Additionally, it is used as a deodorizer, fragrance, flavouring and nutrient, and as a non-motive propellant acting as a blowing agent. It also functions as processing aids not otherwise specified. Regarding its occurrence, ACACIA, GUM (ACACIA SENEGAL (L.) WILLD.) is found in or released from electrical and electronic equipment, specifically amplifiers.
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Sodium 2-[(7-carboxyheptyl)-C-hydroxycarbonimidoyl]benzen-1-olic acidGenerator
SNACChEMBL
e414ChEMBL
Salcaprozic acid sodiumGenerator
SNAC sodiumMeSH
N-(8-(2-Hydroxybenzoyl)amino)caprylate sodiumMeSH
N-SNACMeSH
Sodium N-(8-(2-hydroxybenzoyl)amino)caprylateMeSH
N-(8-(2-Hydroxybenzoyl)amino)caprylateMeSH
Chemical FormulaC15H20NNaO4
Average Molecular Mass301.318 g/mol
Monoisotopic Mass301.129 g/mol
CAS Registry Number9000-01-5
IUPAC NameNot Available
Traditional Namesodium 2-[(7-carboxyheptyl)-C-hydroxycarbonimidoyl]benzenolate
SMILES[Na+].OC(=O)CCCCCCC\N=C(/O)C1=CC=CC=C1[O-]
InChI IdentifierInChI=1S/C15H21NO4.Na/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19;/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19);/q;+1/p-1
InChI KeyUOENJXXSKABLJL-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentSalicylamides
Alternative Parents
Substituents
  • Salicylamide
  • Benzamide
  • Benzoyl
  • Medium-chain fatty acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Hydroxy fatty acid
  • Phenol
  • Fatty acyl
  • Fatty acid
  • Vinylogous acid
  • Carboxamide group
  • Carboxylic acid salt
  • Secondary carboxylic acid amide
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic alkali metal salt
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic sodium salt
  • Organic salt
  • Organic zwitterion
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.081 g/LALOGPS
logP2.67ALOGPS
logP3.42ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)4.93ChemAxon
pKa (Strongest Basic)4.47ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area92.95 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity87.03 m³·mol⁻¹ChemAxon
Polarizability31.02 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03l0-0390000000-22ac36d40fac9078b229Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-1940000000-ea3f262e3980cf5c436aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-7900000000-a2465f51b2a79a27e7d1Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0ik9-0093000000-164eb8f69b883575b920Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03e9-2391000000-8ba350a103e355d2961dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9300000000-aaa68e82cda89ef588e5Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0304829
FooDB IDFDB001217
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID139678
ChEBI IDNot Available
PubChem Compound ID158788
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available