AG0016D9

1219-38-1 | Benzoic acid, 4-hydroxy-, octyl ester

AG0016D9

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CAS Number	1219-38-1
Catalog Number	AG0016D9(AGN-PC-0JKBV4)
Chemical Name	Benzoic acid, 4-hydroxy-, octyl ester
EC Number	214-943-2
IUPAC Name	octyl 4-hydroxybenzoate
InChI	InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11,16H,2-7,12H2,1H3
InChI Key	RIKCMEDSBFQFAL-UHFFFAOYSA-N
MDL Number	MFCD00016482
Molecular Formula	C15H22O3
Molecular Weight	250.3334
NSC Number	309820
SMILES	C(=O)(OCCCCCCCC)c1ccc(cc1)O
UNII	4UVK431K6B
Synonyms	Octyl 4-hydroxybenzoate, 1219-38-1, N-OCTYL 4-HYDROXYBENZOATE, Octylparaben, Octyl paraben, Octyl p-hydroxybenzoate, p-Hydroxybenzoic acid octyl ester, 4-Hydroxybenzoic acid n-octyl ester, Benzoic acid, 4-hydroxy-, octyl ester, p-Oxybenzoesaureoctylester, UNII-4UVK431K6B, p-Oxybenzoesaureoctylester [German], BENZOIC ACID, p-HYDROXY-, OCTYL ESTER, EINECS 214-943-2, NSC 309820, BRN 2807114, 4UVK431K6B, RIKCMEDSBFQFAL-UHFFFAOYSA-N, MFCD00016482, FR-2323, DSSTox_CID_27933, DSSTox_RID_82686, DSSTox_GSID_47957, CAS-1219-38-1, n-Octylparaben, octyl 4-oxidanylbenzoate, Juniferdin derivative, 8, n-Octyl-4-hydroxybenzoate, KSC493I3R, SCHEMBL190525, AC1L249L, CHEMBL117895, DTXSID0047957, BDBM86377, CTK3J3438, KS-00000YZV, 4-Hydroxy-benzoic acid octyl ester, ZINC1568934, Tox21_200908, Tox21_303430, 6291AF, NSC309820, SBB008610, AKOS015856355, NSC-309820, RTR-003552, VZ33389, NCGC00248872-01, NCGC00257503-01, NCGC00258462-01, AN-48913, LS-37650, TR-003552, FT-0633496, O0443, ST50826915, Benzoic acid, 4-hydroxy-, octyl ester (9CI), A804816, C-15437, I14-92329, 4-Hydroxybenzoic Acid Octyl Ester, C15H22O3, CID14642, C15-H22-O3, 4-10-00-00378 (Beilstein Handbook Reference),

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.157g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	250.338g/mol
Monoisotopic Mass	250.157g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H317-H319
Precuationary statements	P261-P264-P272-P280-P302+P352+P333+P313+P363-P305+P351+P338+P337+P313-P501
Siginal words

Certificate of Analysis

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