AG003OL9

103-61-7 | 3-phenylprop-2-en-1-yl butanoate

AG003OL9

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CAS Number	103-61-7
Catalog Number	AG003OL9(AGN-PC-0JK87A)
Chemical Name	3-phenylprop-2-en-1-yl butanoate
EC Number	203-128-7
FEMA Number	2296
IUPAC Name	[(E)-3-phenylprop-2-enyl] butanoate
InChI	InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6+
InChI Key	YZYPQKZWNXANRB-UXBLZVDNSA-N
MDL Number	MFCD00027135
Molecular Formula	C13H16O2
Molecular Weight	204.2649
NSC Number	30528
SMILES	O=C(OCC=CC=1C=CC=CC1)CCC
UNII	TKZ9V37P1G
Synonyms	cinnamyl butyrate, cinnamyl isobutyrate, Cinnamyl butyrate, Phenylpropenyl n-butyrate, Cinnamyl n-butyrate, BUTYRIC ACID, CINNAMYL ESTER, Cinnamyl butanoate, 103-61-7, 3-Phenylallyl butyrate, Butynoic acid, 3-phenyl-2-propenyl ester, UNII-TKZ9V37P1G, Butanoic acid, 3-phenyl-2-propenyl ester, 3-Phenyl-2-propenyl butanoate, FEMA No. 2296, 3-Phenyl-2-propen-1-yl butyrate, 3-Phenyl-2-propen-1-yl butanoate, EINECS 203-128-7, NSC 30528, NSC-30528, BRN 3200585, TKZ9V37P1G, AI3-02461, butanoic acid 3-phenyl-2-propenyl ester, 78761-39-4, Cinnamylbutyrate, Butanoic acid, 3-phenyl-2-propen-1-yl ester, 3-phenylprop-2-en-1-yl butyrate, Cinnamyl butyrate [FCC], Cinnamyl butyrate [FHFI], [(E)-cinnamyl] butanoate, AC1NS74F, AC1Q65UB, WLN: 3VO2U1R, SCHEMBL356660, DTXSID2059277, YZYPQKZWNXANRB-UXBLZVDNSA-N, NSC30528, ZINC1661151, 6117AF, MFCD00027135, AKOS030568395, [(E)-3-phenylprop-2-enyl] butanoate, (2E)-3-Phenyl-2-propenyl butyrate #, trans-Cinnamyl butyrate, >=96%, FCC, AN-24647, CC-25801, CJ-06005, CJ-26827, LS-47931, RT-000690, trans-Cinnamyl butyrate, analytical standard, trans-Cinnamyl butyrate, FEMA 2296, C13H16O2, AR-1F5055, C13-H16-O2, CID5355254, 2-06-00-00527 (Beilstein Handbook Reference), 104331-86-4,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	204.115g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.269g/mol
Monoisotopic Mass	204.115g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number