Propylparaben
PubChem CID: 7175
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| Compound Synonyms | PROPYLPARABEN, Propyl 4-hydroxybenzoate, 94-13-3, Propyl paraben, Propyl p-hydroxybenzoate, Nipasol, Nipazol, Propagin, 4-Hydroxybenzoic acid propyl ester, Tegosept P, Nipagin P, Propyl parahydroxybenzoate, n-Propyl 4-hydroxybenzoate, Chemacide pk, Propyl Parasept, Propyl Butex, Propyl Chemosept, Betacide P, N-Propyl p-hydroxybenzoate, Propyl aseptoform, Propylparasept, 4-Hydroxybenzoic acid, propyl ester, Chemocide pk, Aseptoform P, p-Hydroxypropyl benzoate, Betacine P, Protaben P, Nipasol P, Solbrol P, p-Hydroxybenzoic acid propyl ester, Paseptol, p-Hydroxybenzoic propyl ester, Preserval P, Bonomold OP, Nipasol M, Propyl-4-hydroxybenzoate, N-Propylparaben, n-propyl paraben, FEMA No. 2951, Propyl chemsept, Propyl-paraben, Caswell No. 714, Paratexin p, Benzoic acid, 4-hydroxy-, propyl ester, Paraben p, Bayer D 206, FEMA Number 2951, propyl para-hydroxybenzoate, Benzoic acid, p-hydroxy-, propyl ester, Propylparaben e216, propyl hydroxybenzoate, HSDB 203, UNII-Z8IX2SC1OH, Chemoside PK, Lexgard P, p-Oxybenzoesaurepropylester, Pulvis conservans, Z8IX2SC1OH, NSC-8511, p-Hydroxybenzoic acid, propyl ester, EINECS 202-307-7, MFCD00002354, NSC 23515, NSC-23515, EPA Pesticide Chemical Code 061203, BRN 1103245, DTXSID4022527, CHEBI:32063, n-PROPYL-p-HYDROXYBENZOATE, Propylis hydroxybenzoas, AI3-01341, propyl 4-oxidanylbenzoate, Propylester kyseliny p-hydroxybenzoove, p-Oxybenzoesaeurepropylester, MLS002152934, DTXCID602527, EC 202-307-7, 4-Hydroxybenzoic acid-propyl ester, PROPYL (4-HYDROXYBENZOATE), 4-10-00-00374 (Beilstein Handbook Reference), NSC23515, p-Hydroxybenzoic acid n-propyl ester, NCGC00090965-03, NCGC00090965-04, SMR000112070, PROPYLPARABEN (II), PROPYLPARABEN [II], WLN: QR DVO3, Propyl parahydroxybenzoate, Propyl 4-hydroxybenzoate, PROPYLPARABEN (USP-RS), PROPYLPARABEN [USP-RS], Propylparaben [USAN], Propyl 4-hydroxybenzoate, >=99%, Pulvis conservans (VAN), 4-Hydroxybenzoic acid-propyl ester 1000 microg/mL in Acetonitrile, PROPYL HYDROXYBENZOATE (MART.), PROPYL HYDROXYBENZOATE [MART.], CAS-94-13-3, Propyl 4-?Hydroxybenzoate(Propyl Paraben), PEPH, PROPYL PARAHYDROXYBENZOATE (EP IMPURITY), PROPYL PARAHYDROXYBENZOATE [EP IMPURITY], PROPYL PARAHYDROXYBENZOATE (EP MONOGRAPH), PROPYL PARAHYDROXYBENZOATE [EP MONOGRAPH], 85403-59-4, p-Oxybenzoesaurepropylester [German], Propylparaben [USAN:NF], 4-Hydroxybenzoic acid-propyl ester D7 (propyl D7), METHYL PARAHYDROXYBENZOATE IMPURITY C (EP IMPURITY), METHYL PARAHYDROXYBENZOATE IMPURITY C [EP IMPURITY], Propylester kyseliny p-hydroxybenzoove [Czech], 4-Hydroxybenzoic acid propylester, (Propyl Paraben), 36M, propyl p-oxybenzoate, Propylparaben (NF), Propylparaben, USAN, Propylparaben (Standard), Propylis parahydroxybenzoas, Propyl 4-?Hydroxybenzoate, SCHEMBL977, n-propyl-4-hydroxybenzoate, PROPYLPARABEN [MI], PROPYLPARABEN [FCC], cid_7175, n-propyl-p-hydroxy-benzoate, PROPYLPARABEN [HSDB], PROPYLPARABEN [VANDF], MLS002222346, MLS006011654, BIDD:ER0229, Propyl-4-Hydroxybenzoate,(S), PROPYL PARABEN [VANDF], PROPYLPARABEN [WHO-DD], CHEMBL194014, Propyl parahydroxybenzoate (TN), BDBM70190, HY-N2026R, MSK2511, NSC8511, HMS2268K21, Propyl 4-hydroxybenzoate, BioXtra, Propyl parahydroxybenzoate (JP17), HY-N2026, UYB80267, Tox21_111048, Tox21_400012, BBL023754, s5405, STL294815, 4-Hydroxybenzoic acid, n-propyl ester, AKOS008948099, component of Heb-Cort MC (Salt/Mix), 1ST2511, CCG-266432, DB14177, DS-3427, FP63482, PROPYL HYDROXYBENZOATE [WHO-IP], PROPYL P-HYDROXYBENZOATE [FHFI], PROPYL PARAHYDROXYBENZOATE [JAN], USEPA/OPP Pesticide Code: 061203, NCGC00090965-01, NCGC00090965-02, NCGC00090965-05, NCGC00090965-06, NCGC00090965-07, AC-34533, DA-66938, E216, DB-221787, CS-0018518, H0219, NS00002126, P1955, PROPYLIS HYDROXYBENZOAS [WHO-IP LATIN], D01422, SBI-0653917.0001, EN300-7419478, A844839, Propyl 4-hydroxybenzoate, p.a., 99.0-100.5%, Propyl paraben, 4-Hydroxybenzoic acid propyl ester, Propyl Parahydroxybenzoate 0.01 mg/ml in Methanol, Propyl Parahydroxybenzoate 1.0 mg/ml in Methanol, Q511627, BRD-K60783397-001-09-5, Propyl 4-hydroxybenzoate, SAJ first grade, >=98.0%, Propyl 4-hydroxybenzoate, tested according to Ph.Eur., Propyl 4-hydroxybenzoate, Vetec(TM) reagent grade, 98%, Propylparaben, certified reference material, TraceCERT(R), Propylparaben, United States Pharmacopeia (USP) Reference Standard, Propyl parahydroxybenzoate, European Pharmacopoeia (EP) Reference Standard, Propylparaben, Pharmaceutical Secondary Standard, Certified Reference Material, 202-307-7, InChI=1/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Description | Antimicrobial agent, preservative, flavouring agent |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P15207, P16473, Q9NUW8, P00352, P00811, Q96QE3, Q9UIF8, P03372, P04150, P10275, P37231, P22309, P19224, O60656, P08659, P35869, Q16236, P27695, n.a., P0DTD1, Q03181, P19838 |
| Iupac Name | propyl 4-hydroxybenzoate |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Target Id | NPT210, NPT50, NPT94 |
| Xlogp | 3.0 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Molecular Formula | C10H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.742 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.678 |
| Synonyms | 4-Hydroxybenzoate propyl ester, 4-Hydroxybenzoate, propyl ester, 4-hydroxybenzoic acid propyl ester, 4-Hydroxybenzoic acid propylester, 4-Hydroxybenzoic acid, propyl ester, Aseptoform p, Benzoic acid, 4-hydroxy-, propyl ester, Benzoic acid, p-hydroxy-, propyl ester, Betacide p, Betacine p, Chemacide PK, Chemocide PK, Chemoside PK, E216, E217 (Na salt), FEMA 2951, Lexgard p, n-Propyl 4-hydroxybenzoate, N-Propyl 4-hydroxybenzoic acid, N-propyl p-hydroxybenzoate, N-Propyl P-hydroxybenzoic acid, N-propyl-p-hydroxybenzoate, N-propylparaben, Nipagin p, Nipasol, P-Hydroxybenzoate propyl ester, P-hydroxybenzoic acid n-propyl ester, P-hydroxybenzoic acid propyl ester, P-hydroxybenzoic acid, propyl ester, P-hydroxybenzoic propyl ester, P-hydroxypropyl benzoate, P-Hydroxypropyl benzoic acid, P-Oxybenzoesaeurepropylester, Propagin, Propyl 4-hydroxybenzoate, Propyl aseptoform, Propyl butex, Propyl chemosept, Propyl chemsept, Propyl p-hydroxybenzoate, Propyl P-hydroxybenzoic acid, Propyl paraben, Propyl parahydroxybenzoate, Propyl parahydroxybenzoic acid, Propyl parasept, Propyl-4-hydroxybenzoate, Propyl-paraben, Propylparaben, Propylparaben, USAN, Propylparasept, Protaben p, Solbrol P, Tegosept p |
| Substituent Name | Benzoate ester, Benzylether, Benzoyl, Phenol, Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | Propylparaben |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 180.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.949997061538461 |
| Inchi | InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 |
| Smiles | CCCOC(=O)C1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all