Compound: PROPYLPARABEN
SMILES: O=C(OCCC)c1ccc(O)cc1
InChIKey: QELSKZZBTMNZEB-UHFFFAOYSA-N
Synonyms: PROPYLPARABEN, 94-13-3, Propyl paraben, Nipasol, Propyl p-hydroxybenzoate, Nipazol, Propagin, Propyl parahydroxybenzoate, Tegosept P, 4-Hydroxybenzoic acid propyl ester, Nipagin P, Propyl Butex, Betacide P, Chemocide pk, Propyl Parasept, Aseptoform P, Propyl Chemosept, Nipasol P, Solbrol P, Propylparasept, n-Propyl 4-hydroxybenzoate, Paseptol, Chemacide pk, Preserval P, N-Propyl p-hydroxybenzoate, Protaben P, Bonomold OP, Nipasol M, Propyl aseptoform, p-Hydroxybenzoic acid propyl ester, p-Hydroxypropyl benzoate, Betacine P, 4-Hydroxybenzoic acid, propyl ester, p-Hydroxybenzoic propyl ester, N-Propylparaben, n-propyl paraben, Pulvis conservans, Benzoic acid, 4-hydroxy-, propyl ester, FEMA No. 2951, Paratexin p, Paraben p, propyl para-hydroxybenzoate, Benzoic acid, p-hydroxy-, propyl ester, Propylparaben e216, p-Oxybenzoesaurepropylester, Z8IX2SC1OH, NSC-8511, NSC-23515, DTXSID4022527, CHEBI:32063, Propylis hydroxybenzoas, Propylester kyseliny p-hydroxybenzoove, DTXCID602527, PEPH, RefChem:6177, 202-307-7, 920-388-3, Propyl 4-hydroxybenzoate, Parasept, Propyl-4-hydroxybenzoate, Propyl chemsept, Chemoside PK, Lexgard P, p-Hydroxybenzoic acid, propyl ester, MFCD00002354, n-PROPYL-p-HYDROXYBENZOATE, MLS002152934, 4-Hydroxybenzoic acid-propyl ester, NSC23515, p-Hydroxybenzoic acid n-propyl ester, NCGC00090965-03, NCGC00090965-04, SMR000112070, WLN: QR DVO3, Propyl parahydroxybenzoate;Propyl 4-hydroxybenzoate, Caswell No. 714, Propylparaben [USAN], Propyl 4-hydroxybenzoate, >=99%, Propyl-paraben, FEMA Number 2951, Pulvis conservans (VAN), 4-Hydroxybenzoic acid-propyl ester 1000 microg/mL in Acetonitrile, CAS-94-13-3, Propyl 4-?Hydroxybenzoate(Propyl Paraben), HSDB 203, Bayer D 206, propyl 4-oxidanylbenzoate, 85403-59-4, p-Oxybenzoesaurepropylester [German], EINECS 202-307-7, UNII-Z8IX2SC1OH, NSC 23515, Propylparaben [USAN:NF], EPA Pesticide Chemical Code 061203, 4-Hydroxybenzoic acid-propyl ester D7 (propyl D7), BRN 1103245, AI3-01341, Propylester kyseliny p-hydroxybenzoove [Czech], 4-Hydroxybenzoic acid propylester, (Propyl Paraben), 36M, Propylparaben (NF), Propylparaben, USAN, Methyldopa Impurity 2, Propylparaben (Standard), Propylis parahydroxybenzoas, Propyl 4-?Hydroxybenzoate, SCHEMBL977, n-propyl-4-hydroxybenzoate, PROPYLPARABEN [II], PROPYLPARABEN [MI], Epitope ID:418920, p-Oxybenzoesaeurepropylester, EC 202-307-7, PROPYLPARABEN [FCC], cid_7175, n-propyl-p-hydroxy-benzoate, PROPYLPARABEN [HSDB], PROPYLPARABEN [VANDF], 4-10-00-00374 (Beilstein Handbook Reference), MLS002222346, MLS006011654, BIDD:ER0229, Propyl parahydroxybenzoate CRS, SCHEMBL726906, PROPYL PARABEN [VANDF], PROPYLPARABEN [USP-RS], PROPYLPARABEN [WHO-DD], CHEMBL194014, orb1301695, orb3140042, SCHEMBL5542763, BDBM70190, HY-N2026R, MSK2511, NSC8511, GLXC-07453, HMS2268K21, HMS5084A20, Propyl 4-hydroxybenzoate, BioXtra, PROPYL (4-HYDROXYBENZOATE), Propyl parahydroxybenzoate (JP18), HY-N2026, UYB80267, Tox21_111048, Tox21_400012, BBL023754, EBC-26146, s5405, SBB015060, STL294815, 4-Hydroxybenzoic acid, n-propyl ester, AKOS008948099, component of Heb-Cort MC (Salt/Mix), PROPYL HYDROXYBENZOATE [MART.], CCG-266432, DB14177, DS-3427, FP63482, PROPYL HYDROXYBENZOATE [WHO-IP], PROPYL P-HYDROXYBENZOATE [FHFI], PROPYL PARAHYDROXYBENZOATE [JAN], NCGC00090965-01, NCGC00090965-02, NCGC00090965-05, NCGC00090965-06, NCGC00090965-07, AC-34533, DA-66938, Propyl 4-hydroxybenzoate, 99+% 500GR, ST075003, DB-221787, CS-0018518, H0219, NS00002126, P1955, PROPYLIS HYDROXYBENZOAS [WHO-IP LATIN], D01422, PROPYL PARAHYDROXYBENZOATE [EP IMPURITY], SBI-0653917.0001, Sodium Ethyl Parahydroxybenzoate EP Impurity C, EN300-7419478, PROPYL PARAHYDROXYBENZOATE [EP MONOGRAPH], F235703, Propyl 4-hydroxybenzoate, p.a., 99.0-100.5%, 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%, METHYL PARAHYDROXYBENZOATE IMPURITY C [EP IMPURITY], 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, InChI=1/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H
Theoretical properties:
molecular_formula: C10H12O3
molecular_weight: 180.20 g/mol
exact_mass: 180.078644241 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 13
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White crystals
color: White crystals
odor: Odorless or has faint odor
boiling_point: 271 °F at 1 mmHg (NTP, 1992)
melting_point: 203 to 208 °F (NTP, 1992)
density: 1.28 at 77 °F (NTP, 1992) - Denser than water; will sink
solubility: less than 1 mg/mL at 54 °F (NTP, 1992)
vapor_pressure: 0.000555 [mmHg]
Descriptions:
pubchem: Propylparaben is the benzoate ester that is the propyl ester of 4-hydroxybenzoic acid. Preservative typically found in many water-based cosmetics, such as creams, lotions, shampoos and bath products. Also used as a food additive. It has a role as an antimicrobial agent and an antifungal agent. It is a member of phenols, a benzoate ester and a paraben. It is functionally related to a propan-1-ol and a 4-hydroxybenzoic acid.
chebi: The benzoate ester that is the propyl ester of 4-hydroxybenzoic acid.   Preservative typically found in many water-based cosmetics, such as creams, lotions, shampoos and bath products. Also used as a food additive.
chembl: PROPYLPARABEN is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Propylparaben (also spelled propyl paraben) is the n-propyl ester of p-hydroxybenzoic acid. It occurs as a natural substance found in many plants and some insects. Additionally, it can be manufactured synthetically for use in cosmetics, pharmaceuticals, and foods. It is a member of the class of parabens and can be used as a preservative in many water-based cosmetics, such as creams, lotions, shampoos, and bath products. As a food additive, it has the E number E216.
Sodium propyl p-hydroxybenzoate, the sodium salt of propylparaben, a compound with formula Na(C3H7(C6H4COO)O), is used similarly as a food additive and as an anti-fungal preservation agent. Its E number is E217.
In 2010, the European Union Scientific Committee on Consumer Safety stated that the use of butylparaben and propylparaben as preservatives in finished cosmetic products is safe to the consumer, as long as the sum of their concentrations does not exceed 0.19%.