AG003QXE

1083-27-8 | Hexyl 4-hydroxybenzoate

AG003QXE

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CAS Number	1083-27-8
Catalog Number	AG003QXE(AGN-PC-0JKBKK)
Chemical Name	Hexyl 4-hydroxybenzoate
IUPAC Name	hexyl 4-hydroxybenzoate
InChI	InChI=1S/C13H18O3/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9,14H,2-5,10H2,1H3
InChI Key	ULULAZKOCFNOIM-UHFFFAOYSA-N
MDL Number	MFCD00016480
Molecular Formula	C13H18O3
Molecular Weight	222.2802
SMILES	O=C(OCCCCCC)C1=CC=C(O)C=C1
UNII	14Y8G9635E
Synonyms	Hexyl 4-hydroxybenzoate, 1083-27-8, Hexylparaben, Hexyl p-hydroxybenzoate, p-Hydroxybenzoic acid hexyl ester, Hexyl 4-hydroxybenzoat, Benzoic acid, 4-hydroxy-, hexyl ester, p-Oxybenzoesaurehexylester, p-Oxybenzoesaeurehexylester, 4-hydroxybenzoic acid n-hexyl ester, 4-Hydroxybenzoesaeurehexylester, UNII-14Y8G9635E, p-Oxybenzoesaurehexylester [German], n-Hexyl-4-hydroxybenzoate, BRN 2723592, BENZOIC ACID, p-HYDROXY-, HEXYL ESTER, ULULAZKOCFNOIM-UHFFFAOYSA-N, 14Y8G9635E, DSSTox_CID_24514, DSSTox_RID_80282, DSSTox_GSID_44514, CAS-1083-27-8, Hexyl4-Hydroxybenzoate, ACMC-1BOSY, n-hexyl-p-hydroxybenzoate, n-hexyl 4-hydroxybenzoate, n-Hexyl p-hydroxy benzoate, SCHEMBL374758, AC1L236N, CHEMBL2271366, DTXSID1044514, CTK6E1146, 4-Hydroxybenzoic Acid Hexyl Ester, KS-000012GX, ZINC2023161, Tox21_202266, Tox21_303422, ANW-15930, MFCD00016480, AKOS016846151, MCULE-9552752006, Hexyl Paraben (hexyl 4-hydroxybenzoate), NCGC00249202-01, NCGC00257292-01, NCGC00259815-01, AJ-32800, AS-44334, CJ-31566, LS-37578, TC-104675, FT-0766472, ST51045376, Benzoic acid, 4-hydroxy-, hexyl ester (9CI), I14-63370, InChI=1/C13H18O3/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9,14H,2-5,10H2,1H, C13H18O3, CID14127, Benzoic acid,4-hydroxy-, hexyl ester, C13-H18-O3, H0213, 4-10-00-00377 (Beilstein Handbook Reference),

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.126g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.284g/mol
Monoisotopic Mass	222.126g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

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