AG00HA96

104-55-2 | 2-Propenal, 3-phenyl-

AG00HA96

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CAS Number	104-55-2
Catalog Number	AG00HA96(AGN-PC-0JK5JO)
Chemical Name	2-Propenal, 3-phenyl-
FEMA Number	2286
IUPAC Name	(E)-3-phenylprop-2-enal
InChI	InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChI Key	KJPRLNWUNMBNBZ-QPJJXVBHSA-N
MDL Number	MFCD00007000
Molecular Formula	C9H8O
Molecular Weight	132.1592
SMILES	C1(=CC=CC=C1)C=CC=O
UNII	SR60A3XG0F
Synonyms	3-phenylprop-2-enaldehyde, beta-phenylacrolein, cinnamaldehyde, cinnamic aldehyde, cinnamic aldehyde, (E)-isomer, supercinnamaldehyde, trans-3-phenylprop-2-enaldehyde, cinnamaldehyde, trans-Cinnamaldehyde, Cinnamic aldehyde, 104-55-2, 14371-10-9, 3-Phenylacrylaldehyde, Cinnamal, (E)-Cinnamaldehyde, 3-Phenylpropenal, Phenylacrolein, Zimtaldehyde, Cinnamylaldehyde, (2E)-3-phenylprop-2-enal, Cassia aldehyde, trans-Cinnamic aldehyde, (E)-3-Phenylpropenal, (E)-3-Phenyl-2-propenal, 3-Phenylacrolein, Cinnemaldehyde, (E)-3-phenylprop-2-enal, Cinnamyl aldehyde, 3-Phenyl-2-propenal, 2-propenal, 3-phenyl-, (2E)-, Cinnamaldehyde, (E)-, trans-Cinnamylaldehyde, Benzylideneacetaldehyde, beta-Phenylcrolein, 3-Phenyl-2-propenaldehyde, 3-Phenyl-2-propen-1-al, Acrolein, 3-phenyl-, 3-Fenylpropenal, Abion CA, 2-Propenal, 3-phenyl-, (E)-Cinnamic aldehyde, Caswell No. 221A, 3-phenylprop-2-enal, FEMA Number 2286, 3-Fenylpropenal [Czech], Aldehyd skoricovy [Czech], NCI-C56111, UNII-SR60A3XG0F, trans-3-Phenyl-2-propenal, Cinnamic aldehyde (natural), (2E)-3-phenylacrylaldehyde, Hefty Dog and Cat Repellent, FEMA No. 2286, CCRIS 3189, CCRIS 6222, HSDB 209, CHEBI:16731, trans-3-Phenylacrolein, 2-Propenal, 3-phenyl-, (E)-, EINECS 203-213-9, MFCD00007000, NSC 16935, EPA Pesticide Chemical Code 040506, trans-Cinnamaldehyde, 99%, BRN 0605737, BRN 1071571, C9H8O, SR60A3XG0F, (2E)-3-Phenyl-2-propenal, AI3-00473, AI3-33275, CHEMBL293492, Aldehyd skoricovy, KJPRLNWUNMBNBZ-QPJJXVBHSA-N, NCGC00091512-04, DSSTox_CID_4834, WLN: VH1U1R, DSSTox_RID_77548, DSSTox_GSID_24834, trans-Cinnamaldehyde; trans-3-Phenylacrylaldehyde, cis-Cinnamic aldehyde, (Z)-Cinnamylaldehyde, beta-phenylacrolein, CAS-14371-10-9, Cinnamaldehyde [NF], cinnamic aldehyde, (E)-isomer, e-cinnamaldehyde, transcinnamaldehyde, trans cinnamaldehyde, Nat. Cinnamaldehyde, CNMA, (trans)-cinnamaldehyde, trans cinnamic aldehyde, AC1LCUDE, Cinnamaldehyde, trans-, Cinnamaldehyde, Natural, 3-phenyl-propen-2-al, (E)-3-Phenyl-propenal, AC1Q6BJW, AC1Q6PPL, (E)-phenylvinyl aldehyde, (E)-3-phenylacrylaldehyde, bmse010257, Epitope ID:150921, EC 203-213-9, trans-3-Phenylacrylaldehyde, Trans-Cinnamaldehyde ,(S), SCHEMBL3441, (E)-3-phenyl-acrylaldehyde, 3-Phenyl-(Z)-2-Propenal, Cinnamaldehyde (trans), neat, (3E)-3-phenylprop-2-enal, 2-07-00-00273 (Beilstein Handbook Reference), 4-07-00-00984 (Beilstein Handbook Reference), MLS002454394, CINNAMALDEHYDE (TRANS), trans-Cinnamaldehyde, >=99%, 2-propenal,3-phenyl-,(E)-, GTPL2423, (E)-cinnamaldehyde (incorrect), NATURAL CINNAMIC ALDEHYDE, DTXSID6024834, trans-cinnamaldehyde (incorrect), CHEBI:142921, HMS2268O08, NSC16935, NSC40346, ZINC1532777, Tox21_111144, Tox21_201804, Tox21_303271, BBL010378, BDBM50203065, LS-378, LS-850, NSC-16935, NSC-40346, SBB028652, STK397371, AKOS000119171, Cinnamaldehyde, natural, >=95%, FG, ACN-035400, RL00215, RTR-001003, NCGC00091512-01, NCGC00091512-02, NCGC00091512-05, NCGC00091512-06, NCGC00091512-07, NCGC00257017-01, NCGC00259353-01, trans-Cinnamaldehyde, analytical standard, AJ-26812, AN-24684, AS-12078, Cinnamaldehyde min. 98 %, for synthesis, CJ-24256, M181, SC-19143, SMR000112334, trans-Cinnamaldehyde, >=98%, FCC, FG, 2-Propenal, 3-phenyl-, (E)- (9CI), (E)-3-phenyl-2-propenal(E)-cinnamaldehyde, DB-003796, RT-001454, ST2407775, TR-001003, AM20060482, CS-0009609, N1482, ST24024694, ST50213393, A14480, C00903, Cinnamaldehyde, Vetec(TM) reagent grade, 93%, 58840-EP2305682A1, 58840-EP2308879A1, A801001, R501736, I14-7336, W-205597, B99DD6C7-1C6D-4FE3-A172-54BFDB987683, I14-109742, Cinnamaldehyde, United States Pharmacopeia (USP) Reference Standard, TRANS-CINNAMALDEHYDE (SEE ALSO CINNAMALDEHYDE (104-55-2)), CINNAMALDEHYDE (SEE ALSO TRANS-CINNAMALDEHYDE (14371-10-9)), InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4, cis-Cinnamaldehyde, Cinnamaldhyde, kanelaldehyd-, (Z)-cinnamaldehyde, supercinnamaldehyde, trans-Cinmaldehyde, (trans-Cinnamaldehyde), Cinnamaldehyde, (E);, 2-Propenal, 3-fenil-, 3-phenylprop-2-enaldehyde, TRANS-CINNAMIC ACID, D0PJ3M, (Z)-3-Phenyl-2-propenal, Cinnamaldehyde, 95% 100g, trans-3-phenylprop-2-enaldehyde, C9-H8-O, AR-1F5016, c0352, CID637511, NA8027, Cinnamaldehyde 98% for synthesis 500ml, trans-Cinnamaldehyde, 99% - 50G 50g, Cinnamaldehyde, (E); (trans-Cinnamaldehyde), C012843, 57194-69-1, 14528-64-4,

Complexity	121
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	132.058g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	132.162g/mol
Monoisotopic Mass	132.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number