AG0016K3

122-70-3 | Propanoic acid, 2-phenylethyl ester

AG0016K3

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CAS Number	122-70-3
Catalog Number	AG0016K3(AGN-PC-0JKLTB)
Chemical Name	Propanoic acid, 2-phenylethyl ester
EC Number	204-567-7
FEMA Number	2867
IUPAC Name	2-phenylethyl propanoate
InChI	InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key	HVGZQCSMLUDISR-UHFFFAOYSA-N
MDL Number	MFCD00013497
Molecular Formula	C11H14O2
Molecular Weight	178.2277
NSC Number	404457
SMILES	CCC(OCCC1=CC=CC=C1)=O
UNII	9VFI60EUHW
Synonyms	2-Phenylethyl propionate, Phenethyl propionate, 122-70-3, 2-Phenylethyl propanoate, Propanoic acid, 2-phenylethyl ester, Phenylethyl propionate, 2-Phenethyl propionate, Benzylcarbinyl propionate, EcoPCO ACU, Phenethyl alcohol, propionate, Phenethyl popanoate, Japanese Beetle Bait, 2-Phenethylpropionate, PROPIONIC ACID, PHENETHYL ESTER, Phenethyl propanoate, ENT 18544, Caswell No. 655D, UNII-9VFI60EUHW, NSC 404457, NSC-404457, Phenethyl propionate (natural), FEMA No. 2867, phenylethyl propanoate, HSDB 7428, Phenylethyl n-propionate, Propionic acid, 2-phenylethyl ester, EINECS 204-567-7, MFCD00027008, 2-Phenyl ethyl propanoate, 9VFI60EUHW, beta-Phenylethyl propionate, EPA Pesticide Chemical Code 102601, 2-Phenylethanol, propanoate, BRN 2097455, AI3-18544, Propanoic acid,2-phenylethyl ester, Propionic Acid 2-Phenylethyl Ester, phenylethylpropionate, 2-Phenylethylpropionate, Phenylethanol propanoate, ACMC-1BOYQ, AC1L1L6G, beta -phenylethyl propionate, DSSTox_CID_15156, DSSTox_RID_79241, WLN: 2VO2R, DSSTox_GSID_35156, .beta.-Phenylethyl propionate, 3-06-00-01709 (Beilstein Handbook Reference), KSC492S8H, SCHEMBL114088, Propionic Acid Phenethyl Ester, 2-Phenethyl propionate, 98%, CHEMBL1867360, DTXSID6035156, CTK3J2983, FEMA 2867, HVGZQCSMLUDISR-UHFFFAOYSA-N, ZINC393781, KS-00000Z0E, Phenethyl propionate, >=98%, FG, Tox21_300974, 5868AF, ANW-18032, NSC404457, AKOS024319073, LS-3034, MCULE-8925021770, NCGC00164415-01, NCGC00164415-02, NCGC00254876-01, AN-22885, CAS-122-70-3, CJ-03596, SY049056, ZB012279, DB-041682, RT-001173, FT-0631707, P1823, MFCD00027008 (97%), I14-90730, PROPANOIC ACID,3-(ETHYL,2-PHENYL) ESTER MFC11 H14 O2, PROPANOIC ACID,3-(ETHYL,2-PHENYL) ESTER MFC11 H14 O2, InChI=1/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H, PROPANOATE, 2-PHENYLETHYL, C11H14O2, CID31225, C11-H14-O2,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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