Record Information
Version1.0
Creation date2018-05-02 12:45:20 UTC
Update date2018-05-04 14:15:47 UTC
FoodComEx IDPC001210
FoodDB RecordFDB022852
Chemical Information
NameMonoethyl phthalate
DescriptionMonoethyl phthalate (mEtP) is a metabolite, or breakdown product, of diethyl phthalate, used in perfume, cologne, deodorant, soap, shampoo, lotion, and other personal care products, particularly those containing fragrance (http://www.ewg.org/sites/humantoxome/chemicals/chemical.php?chemid=100364). [HMDB]
CAS Number2306-33-4
Structure
Thumb
Synonyms
SynonymSource
2-(Ethoxycarbonyl)benzoatehmdb
2-(Ethoxycarbonyl)benzoic acidhmdb
MEtPChEBI
Phthalate monoethyl esterGenerator
Phthalic acid monoethyl esterChEBI
Chemical FormulaC10H10O4
IUPAC name2-(ethoxycarbonyl)benzoic acid
InChI IdentifierInChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
InChI KeyYWWHKOHZGJFMIE-UHFFFAOYSA-N
Isomeric SMILESCCOC(=O)C1=CC=CC=C1C(O)=O
Average Molecular Weight194.184
Monoisotopic Molecular Weight194.057908808
Chemical Taxonomy
Description belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentBenzoic acid esters
Alternative Parents
Substituents
  • Benzoate ester
  • Benzoic acid
  • Benzoyl
  • Dicarboxylic acid or derivatives
  • Carboxylic acid ester
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 2 ml
Delivery Time2 weeks
Storage Formliquid
Storage Conditions4°C
StabilityNot Available
Purityunknown
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Augustin ScalbertInternational Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372scalberta@iarc.fr
Commercial Vendors
Toronto Research Chemicals M542580