AG003LJ4

6521-29-5 | Pentyl 4-hydroxybenzoate

AG003LJ4

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CAS Number	6521-29-5
Catalog Number	AG003LJ4(AGN-PC-0BSKE3)
Chemical Name	Pentyl 4-hydroxybenzoate
EC Number	229-408-9
IUPAC Name	pentyl 4-hydroxybenzoate
InChI	InChI=1S/C12H16O3/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h5-8,13H,2-4,9H2,1H3
InChI Key	ZNSSPLQZSUWFJT-UHFFFAOYSA-N
MDL Number	MFCD00016479
Molecular Formula	C12H16O3
Molecular Weight	208.2536
NSC Number	309817
SMILES	O=C(OCCCCC)C1=CC=C(O)C=C1
UNII	SJV2E4C7DM
Synonyms	Pentyl 4-hydroxybenzoate, 6521-29-5, Amyl 4-hydroxybenzoate, n-Pentyl 4-hydroxybenzoate, Pentyl p-hydroxybenzoate, Pentylparaben, Benzoic acid, 4-hydroxy-, pentyl ester, p-Hydroxybenzoic acid pentyl ester, Amylparaben, NSC 309817, Pentyl Paraben, UNII-SJV2E4C7DM, p-Oxybenzoesaurepentylester, Amyl4-Hydroxybenzoate, BENZOIC ACID, p-HYDROXY-, PENTYL ESTER, n-Amyl 4-hydroxybenzoate, p-Oxybenzoesaurepentylester [German], EINECS 229-408-9, MFCD00016479, SJV2E4C7DM, BRN 2722438, ZNSSPLQZSUWFJT-UHFFFAOYSA-N, 4-Hydroxybenzoic Acid Pentyl Ester, 4-Hydroxybenzoic Acid n-Amyl Ester, Amyl p-Hydroxybenzoate, ACMC-209npt, AC1L2LHR, n-Amyl-4-hydroxybenzoate, n-Pentyl-4-hydroxybenzoate, DSSTox_CID_27863, DSSTox_RID_82616, DSSTox_GSID_47887, SCHEMBL1972693, AMYL-PARA-HYDROXYBENZOATE, CHEMBL3183634, DTXSID9047887, CTK8B2108, 4-Hydroxybenzoic Acid Amyl Ester, ZINC1568931, Tox21_200551, ANW-35007, NSC309817, AKOS021983161, MCULE-2497088977, NSC-309817, NCGC00248696-01, NCGC00258105-01, AS-18980, CJ-24656, LS-37655, CAS-6521-29-5, TC-123752, FT-0673618, ST50407911, X3695, KS-00001620, Benzoic acid, 4-hydroxy-, pentyl ester (9CI), Pentyl 4-hydroxybenzoate, analytical reference material, Pentyl-4-hydroxybenzoate, C12H16O3, CID23019, p-Hydroxybenzoic acid n-pentyl ester, 4-HYDROXYBENZOICACIDN-AMYLESTER, C12-H16-O3, Amyl 4-hydroxybenzoate, 98% - 25G 25g, H0208, 4-10-00-00377 (Beilstein Handbook Reference),

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.257g/mol
Monoisotopic Mass	208.11g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H317-H319
Packing Group
Precautionary statements	P261-P264-P272-P280-P302+P352+P333+P313+P363-P305+P351+P338+P337+P313-P501
UN Code

Certificate of Analysis

Lot Number