AG0029XW

2052-14-4 | Benzoic acid, 2-hydroxy-, butyl ester

AG0029XW

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CAS Number	2052-14-4
Catalog Number	AG0029XW(AGN-PC-0WANN4)
Chemical Name	Benzoic acid, 2-hydroxy-, butyl ester
EC Number	218-142-9
FEMA Number	3650
IUPAC Name	butyl 2-hydroxybenzoate
InChI	InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3
InChI Key	YFDUWSBGVPBWKF-UHFFFAOYSA-N
MDL Number	MFCD00020038
Molecular Formula	C11H14O3
Molecular Weight	194.2271
SMILES	OC1=C(C(=O)OCCCC)C=CC=C1
UNII	QPR9LM8VZO
Synonyms	butyl salicylate, Butyl salicylate, Butyl 2-hydroxybenzoate, 2052-14-4, n-Butyl salicylate, Butyl O-hydroxybenzoate, n-Butyl o-hydroxybenzoate, SALICYLIC ACID, BUTYL ESTER, Benzoic acid, 2-hydroxy-, butyl ester, Butyl hydroxybenzoate, Salicylic acid n-butyl ester, Butyl (2-hydroxyphenyl)formate, UNII-QPR9LM8VZO, NSC 1511, Benzoic acid, hydroxy-, butyl ester, NSC 403676, FEMA No. 3650, 2-Hydroxybenzoic Acid Butyl Ester, QPR9LM8VZO, EINECS 218-142-9, Salicylic Acid Butyl Ester, BRN 2208904, AI3-00512, YFDUWSBGVPBWKF-UHFFFAOYSA-N, 2-Hydroxy-benzoic acid, butyl ester, WLN: 4OVR BQ, 1322-01-6, salicylic acid-n-butyl ester, Brunol, butoxycarbonylphenol, ACMC-1CCGN, butyl 2-oxidanylbenzoate, AC1Q2XAH, AC1L27QO, AC1Q2X8J, Butyl salicylate, >=99%, SCHEMBL62565, Salicylic acid, n-butyl ester, Jsp004207, CHEMBL2260713, DTXSID8062153, CTK0I0120, FEMA 3650, YFDUWSBGVPBWKF-UHFFFAOYSA-, NSC1511, 2-hydroxy-benzoic acid butyl ester, KS-00000ZP0, NSC-1511, ZINC1576866, ANW-24130, MFCD00020038, NSC403676, AKOS015890784, MCULE-4925548720, NSC-403676, RTR-009579, TRA0032354, AJ-27343, AN-50183, CJ-24971, LS-144272, ST2406737, TR-009579, FT-0603583, S0010, A814643, I01-7779, InChI=1/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3, Butylsalicylate, Benzoic acid, butyl ester, C11H14O3, CID16330, C11-H14-O3, Butyl salicylate, 99% - 100ML 100ml, 4-10-00-00153 (Beilstein Handbook Reference),

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.094g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.23g/mol
Monoisotopic Mass	194.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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