AG0035PP

497-03-0 | Trans-2-methyl-2-butenal

AG0035PP

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CAS Number	497-03-0
Catalog Number	AG0035PP(AGN-PC-0OB18K)
Chemical Name	Trans-2-methyl-2-butenal
EC Number	207-833-0
FEMA Number	3407
IUPAC Name	(E)-2-methylbut-2-enal
InChI	InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+
InChI Key	ACWQBUSCFPJUPN-HWKANZROSA-N
MDL Number	MFCD00006977
Molecular Formula	C5H8O
Molecular Weight	84.1164
NSC Number	2179
SMILES	C/C=C(C)/C=O
UNII	27ZVE2K81C
Synonyms	(E)-2-methyl-2-butenal, 2-methyl-2-butenal, 2-methylbut-2-enal, Tiglic aldehyde, trans-2-Methyl-2-butenal, 497-03-0, Tiglaldehyde, (E)-2-Methylbut-2-enal, 2-methylbut-2-enal, Tiglic acid aldehyde, Tiglinaldehyde, 2-Methylcrotonaldehyde, E-2-Methyl-2-butenal, 2-Butenal, 2-methyl-, (E)-, Tigaldehyde, trans-, 2-Butenal, 2-methyl-, (2E)-, 2,3-Dimethylacrolein, 1115-11-3, Crotonaldehyde, 2-methyl-, (E)-, trans-2,3-Dimethylacrolein, UNII-27ZVE2K81C, MFCD00006977, 2-Methyl-2-butenal, trans-, 2-METHYL-2-BUTENAL, 2-Methylcrotonaldehyde, (E)-, FEMA No. 3407, 2-Methyl-2-butenal, (E)-, 2-Methylbut-2-en-1-al, (E)-, NSC 2179, EINECS 207-833-0, AI3-24379, 2-Butenal, 2-methyl-, 27ZVE2K81C, trans-Tiglaldehyde, ACWQBUSCFPJUPN-HWKANZROSA-N, 2-methyl-(E)-2-butenal, trans-2-Methylcrotonaldehyde, trans-2-Methyl-2-butenal, 98%, 6038-09-1, (e)-2-methyl-2-butenal, 2-Butenal,2-methyl-(Z)-, tiglinaldehydn, tiglic aldehydn, CCRIS 8097, (E)-tiglaldehyde, Crotonaldehyde, 2-methyl-, (E)- (8CI), AC1Q6PHE, Tiglic aldehyde, >=96%, AC1NT10G, AC1Q2A2Z, DSSTox_CID_29264, DSSTox_RID_83383, DSSTox_GSID_49308, CHEMBL53493, DTXSID1049308, 2-Butenal,2-methyl-, (Z)-, ACWQBUSCFPJUPN-HWKANZROSA-, NSC2179, NSC-2179, ZINC1577193, Tox21_202837, 7385AF, AKOS015912688, FCH1115140, FCH3406620, FCH3461294, NCGC00260383-01, AN-21407, CAS-497-03-0, CJ-25024, LS-179707, trans-2-Methyl-2-butenal, analytical standard, EN300-109078, I14-43585, I14-48659, trans-2-Methyl-2-butenal, sum of isomers, >=99%, FG, InChI=1/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+, Guajol, Crotonaldehyde, 2-methyl-, 2-Butenal, (E)-, C5H8O, trans-2-Methylbut-2-enal, CROTONALDEHYDE, (E)-, C5-H8-O, AR-1E3870, CID5321950, CS-O-05591, T1003, 1123-86-0,

Complexity	72
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	84.058g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	84.118g/mol
Monoisotopic Mass	84.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P210-P261-P305+P351+P338
UN Code	UN 1989

Certificate of Analysis

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