AG003QV7

1085-12-7 | Heptyl 4-hydroxybenzoate

AG003QV7

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CAS Number	1085-12-7
Catalog Number	AG003QV7(AGN-PC-0JKBKU)
Chemical Name	Heptyl 4-hydroxybenzoate
EC Number	214-115-0
IUPAC Name	heptyl 4-hydroxybenzoate
InChI	InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3
InChI Key	ZTJORNVITHUQJA-UHFFFAOYSA-N
MDL Number	MFCD00016481
Molecular Formula	C14H20O3
Molecular Weight	236.3068
NSC Number	309818
SMILES	O=C(OCCCCCCC)C1=CC=C(O)C=C1
UNII	K2CIJ448IX
Synonyms	heptylparaben, Heptyl 4-hydroxybenzoate, 1085-12-7, Heptylparaben, n-Heptyl 4-hydroxybenzoate, Heptyl paraben, Heptyl p-hydroxybenzoate, Nipaheptyl, Staypro WS 7, n-Heptyl p-hydroxybenzoate, Benzoic acid, 4-hydroxy-, heptyl ester, p-Hydroxybenzoic acid heptyl ester, p-Oxybenzoesaureheptylester, UNII-K2CIJ448IX, BENZOIC ACID, p-HYDROXY-, HEPTYL ESTER, NSC 309818, p-Oxybenzoesaureheptylester [German], EINECS 214-115-0, 4-Hydroxybenzoic Acid n-Heptyl Ester, BRN 2726540, K2CIJ448IX, Benzoic acid, 4-hydroxy-, n-heptyl ester, CHEBI:34788, 4-Hydroxybenzoic Acid Heptyl Ester, MFCD00016481, DSSTox_CID_2523, DSSTox_RID_76610, DSSTox_GSID_22523, CAS-1085-12-7, Heptyl4-hydroxybenzoate, heptyl 4-oxidanylbenzoate, Heptyl p-hydroxy benzoate, n-Heptyl4-hydroxybenzoate, n-heptyl-p-hydroxybenzoate, ACMC-1BVV2, Heptyl para-hydroxybenzoate, SCHEMBL66483, KSC909C9D, BIDD:ER0012, AC1L237K, CHEMBL3186719, DTXSID4022523, CTK8A9191, KS-00000VJE, ZTJORNVITHUQJA-UHFFFAOYSA-N, ZINC1568932, Tox21_200540, Tox21_303458, 4-Hydroxybenzoic acid-n-heptyl ester, 6212AF, ANW-15952, NSC309818, Heptyl 4-hydroxybenzoate, AldrichCPR, AKOS016846150, LS-2792, NSC-309818, VZ33307, NCGC00248687-01, NCGC00257279-01, NCGC00258094-01, AK135795, AN-48483, CC-32778, E209, AX8015606, DB-040833, RT-001156, FT-0633318, ST50825856, C14718, A801889, C-14013, I01-21610, Benzoic acid, heptyl ester, C14H20O3, CID14138, C14-H20-O3, H0212, 4-10-00-00378 (Beilstein Handbook Reference), Heptyl-4-hydroxybenzoate, 98% - 100G 100g, C481602,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.141g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.311g/mol
Monoisotopic Mass	236.141g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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