Compound: BUTYLPARABEN
SMILES: O=C(OCCCC)c1ccc(O)cc1
InChIKey: QFOHBWFCKVYLES-UHFFFAOYSA-N
Synonyms: BUTYLPARABEN, Butyl 4-hydroxybenzoate, 94-26-8, Butyl paraben, Butyl p-hydroxybenzoate, Butoben, Nipabutyl, Butyl chemosept, Butyl parasept, Tegosept B, Butyl tegosept, Butyl parahydroxybenzoate, Aseptoform butyl, Solbrol B, n-Butyl p-hydroxybenzoate, Butyl butex, Tegosept Butyl, Preserval B, Butyl-Parasept, Benzoic acid, 4-hydroxy-, butyl ester, butyl p-hydroxy benzoate, 4-(Butoxycarbonyl)phenol, Butyl hydroxybenzoate, n-butyl 4-hydroxybenzoate, n-Butyl parahydroxybenzoate, n-Butyl hydroxybenzoate, 4-Hydroxybenzoic acid butyl ester, FEMA No. 2203, p-Hydroxybenzoic acid n-butyl ester, p-Hydroxybenzoic acid butyl ester, butyl-p-hydroxybenzoate, Benzoic acid, p-hydroxy-, butyl ester, DTXSID3020209, 3QPI1U3FV8, NSC-13164, DTXCID90209, NSC8475, RefChem:122336, 202-318-7, MFCD00016478, n-Butyl-p-hydroxybenzoate, n-Butyl-paraben, Lexgard B, n-Butyl-4-hydroxybenzoate, NSC 8475, SPF, Butylparaben (NF), Butylparaben [NF], p-Hydroxybenzoic acid, butyl ester, 4-Hydroxybenzoic acid, butyl ester, 4-Hydroxybenzoic acid-n-butyl ester, p-Hydroxybenzoic butyl ester, F0266-0124, CAS-94-26-8, Butyl 4-?Hydroxybenzoate(Butyl Paraben), NCGC00016354-03, n-Butyl paraben, Butylparaben [USAN], Caswell No. 130A, butyl-paraben, FEMA Number 2203, 4-Hydroxybenzoic acid-n-butyl ester 1000 microg/mL in Acetonitrile, Butyl Par asept, SMR000462402, CCRIS 2462, HSDB 286, p-Hydroxy butyl benzoate, SR-01000389296, EINECS 202-318-7, UNII-3QPI1U3FV8, EPA Pesticide Chemical Code 061205, BRN 1103741, AI3-02930, 27K, Butylparaben (TN), Methyldopa Impurity 3, 4mg9, Butylparaben (Standard), Prestwick0_000894, Prestwick1_000894, Prestwick2_000894, Prestwick3_000894, BUTYLPARABEN [II], BUTYLPARABEN [MI], WLN: QR DVO4, BUTYLPARABEN [HSDB], cid_7184, SCHEMBL3647, BUTYLPARABEN [VANDF], BSPBio_000708, Butyl parahydroxybenzoate CRS, Butyl //p//-Hydroxybenzoate, MLS000575004, MLS002154054, MLS002303045, BIDD:ER0231, BUTYLPARABEN [USP-RS], SPBio_002917, Butyl parahydroxybenzoate (TN), BPBio1_000780, CHEMBL459008, orb1310161, orb3139380, SCHEMBL2455712, SCHEMBL6846387, BDBM23448, CHEBI:88542, FEMA 2203, HY-B1431R, MSK2512, Butyl parahydroxybenzoate (JP15), Butyl parahydroxybenzoate (JP18), Butyl 4-hydroxybenzoate, >=99%, HMS1570D10, HMS2094A21, HMS2097D10, HMS2220G15, HMS3327P04, HMS3714D10, HMS5083N15, Pharmakon1600-01505995, SMSSF-0040996, HY-B1431, NSC-8475, Tox21_110393, Tox21_201785, Tox21_300332, EBC-03509, NSC759303, p-Hydroxybenzoic acid, n-butyl ester, s4584, SBB060338, BUTYL HYDROXYBENZOATE [MART.], AKOS000121421, BUTYL HYDROXYBENZOATE [WHO-DD], Tox21_110393_1, BUTYL PARAHYDROXYBENZOATE [JAN], CCG-213596, CS-4783, DB14084, FB19456, NSC-759303, BUTYL P-HYDROXY BENZOATE [FHFI], Butyl 4-Hydroxybenzoate (Butyl Paraben), NCGC00016354-01, NCGC00016354-02, NCGC00016354-04, NCGC00016354-05, NCGC00016354-06, NCGC00016354-07, NCGC00016354-11, NCGC00091142-01, NCGC00091142-02, NCGC00254294-01, NCGC00259334-01, AC-34535, AS-14309, SY032891, SBI-0206946.P001, Butyl 4-hydroxybenzoate, >=99.0% (GC), DS-010619, AB00513951, B3771, H0210, NS00010637, ST50405535, T0927, EN300-21566, BUTYL PARAHYDROXYBENZOATE [EP IMPURITY], BUTYL PARAHYDROXYBENZOATE [EP MONOGRAPH], D01420, AB00513951_09, F240628, Q3302873, SR-01000389296-1, SR-01000389296-3, BRD-K08287586-001-03-6, BRD-K08287586-001-08-5, BRD-K08287586-001-14-3, Butyl 4-hydroxybenzoate, SAJ first grade, >=99.0%, PROPYL HYDROXYBENZOATE IMPURITY D [EP IMPURITY], Z291799028, METHYL PARAHYDROXYBENZOATE IMPURITY D [EP IMPURITY], Butyl 4-Hydroxybenzoate; Propyl Parahydroxybenzoate EP Impurity D, Sodium ethyl parahydroxybenzoate EP Impurity D; Propyl Parahydroxybenzoate EP Impurity D, InChI=1/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H
Theoretical properties:
molecular_formula: C11H14O3
molecular_weight: 194.23 g/mol
exact_mass: 194.094294304 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 5
heavy_atom_count: 14
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Small, colorless crystals or powder
color: Small, colorless crystals or powder
odor: Odorless
boiling_point: 156.00 to 157.00 °C. @ 3.50 mm Hg
melting_point: 154 to 156 °F (NTP, 1992)
solubility: less than 1 mg/mL at 63 °F (NTP, 1992)
flash_point: 181 °C
vapor_pressure: 0.000186 [mmHg]
Descriptions:
pubchem: Butylparaben is an organic molecular entity.
chembl: BUTYLPARABEN is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Butylparaben, or butyl p-hydroxybenzoate, is an organic compound with the formula C4H9O2CC6H4OH.  It is a white solid that is soluble in organic solvents.  It has proven to be a highly successful antimicrobial preservative in cosmetics. It is also used in medication suspensions, and as a flavoring additive in food.