AG002ME8

2315-68-6 | Benzoic acid, propyl ester

AG002ME8

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CAS Number	2315-68-6
Catalog Number	AG002ME8(AGN-PC-00JFSH)
Chemical Name	Benzoic acid, propyl ester
EC Number	219-020-8
FEMA Number	2931
IUPAC Name	propyl benzoate
InChI	InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key	UDEWPOVQBGFNGE-UHFFFAOYSA-N
MDL Number	MFCD00009370
Molecular Formula	C10H12O2
Molecular Weight	164.2011
NSC Number	229333
SMILES	O=C(OCCC)C1=CC=CC=C1
UNII	VWK210B7WS
Synonyms	PROPYL BENZOATE, 2315-68-6, n-Propyl benzoate, Benzoic acid, propyl ester, Benzoic acid n-propyl ester, Propyl benzenecarboxylate, Benzoic Acid Propyl Ester, UNII-VWK210B7WS, Benzoate de propyle, VWK210B7WS, UDEWPOVQBGFNGE-UHFFFAOYSA-N, NCGC00159383-02, NCGC00159383-04, DSSTox_CID_24878, DSSTox_RID_80552, DSSTox_GSID_44878, CAS-2315-68-6, FEMA No. 2931, 1-propyl benzoate, benzoic acid propyl, EINECS 219-020-8, NSC 229333, Propyl benzoate, 99%, AI3-01973, ACMC-209g1q, KSC492G4P, SCHEMBL130761, AC1L28T0, AC1Q66N4, CHEMBL1355077, DTXSID4044878, CTK3J2347, FEMA 2931, KS-00000GZE, ZINC1758084, Tox21_111621, Tox21_301605, ANW-25068, MFCD00009370, NSC229333, SBB061241, AKOS008947829, Tox21_111621_1, GS-3390, MCULE-8178011188, MP-2088, NSC-229333, RTR-010809, NCGC00159383-03, NCGC00256062-01, AJ-31525, AK-93452, AN-19903, CJ-07042, CJ-29722, O055, DB-046092, TR-010809, B0076, FT-0634196, ST24031572, ST50405242, SR-01000944754, I04-9890, J-015014, SR-01000944754-1, Z53835171, Propylbenzoate, C10H12O2, CID16846, C10-H12-O2, Propyl benzoate, 99% - 100ML 100ml,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.204g/mol
Monoisotopic Mass	164.084g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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