AG00IJQ5

96-17-3 | 2-Methylbutyraldehyde

AG00IJQ5

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CAS Number	96-17-3
Catalog Number	AG00IJQ5(AGN-PC-0WA6ZA)
Chemical Name	2-Methylbutyraldehyde
EC Number	202-485-6
FEMA Number	2691
IUPAC Name	2-methylbutanal
InChI	InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
InChI Key	BYGQBDHUGHBGMD-UHFFFAOYSA-N
MDL Number	MFCD00006984
Molecular Formula	C5H10O
Molecular Weight	86.1323
NSC Number	77077
SMILES	CC(C=O)CC
Synonyms	2-methylbutanal, 2-Methylbutyraldehyde, 2-METHYLBUTANAL, 96-17-3, Butanal, 2-methyl-, 2-Formylbutane, 2-Methylbutyric aldehyde, Methylethylacetaldehyde, 2-Ethylpropanal, 2-Methyl-1-butanal, Butyraldehyde, 2-methyl-, Acetaldehyde, ethylmethyl-, alpha-Methylbutanal, 2-methyl butyraldehyde, alpha-Methylbutyraldehyde, Methyl ethyl acetaldehyde, alpha-2-Methyl-n-butanal, alpha-Methylbutyric aldehyde, NSC 77077, FEMA No. 2691, CCRIS 2944, 2-Methylbutyraldehyde (natural), .alpha.-Methylbutanal, EINECS 202-485-6, MFCD00006984, (+/-)-2-Methylbutanal, .alpha.-Methylbutyraldehyde, BRN 1633540, 2-Methylbutyraldehyde, 95%, .alpha.-Methylbutyric aldehyde, AI3-33276, CHEBI:16182, BYGQBDHUGHBGMD-UHFFFAOYSA-N, DSSTox_CID_1818, DSSTox_RID_76346, DSSTox_GSID_21818, CAS-96-17-3, 2-Methyl-Butanal, 2- ethyl propanal, 2-methylbutan-1-al, sec-C4H9CHO, 2-methyl-butyraldehyde, (RS)-2-Methylbutanal, ACMC-209s6n, EC 202-485-6, AC1L1OF7, Nat.2-Methyl Butyraldehyde, 3-01-00-02813 (Beilstein Handbook Reference), KSC202Q5N, (.+/-.)-2-Methylbutanal, WLN: VHY2&1, (+/-)-2-methylbutyraldehyde, AC1Q2S32, CHEMBL2270060, DTXSID2021818, CTK1A2856, 2-METHYL BUTYRALDEHYDE FCC, NSC77077, Tox21_201242, Tox21_302866, 2-Methylbutyraldehyde, >=95%, FG, ANW-40797, NSC-77077, 2-Methylbutyraldehyde, natural, 98%, AKOS009107038, LS-2912, RTR-032175, NCGC00249003-01, NCGC00256324-01, NCGC00258794-01, 2-Methylbutyraldehyde, analytical standard, AN-24338, DB-057627, TR-032175, FT-0613025, C02223, I14-49148, Butanal, methyl-, Butanal, 2-metil-, (S)-2-methylbutanal, 2 - methylbutyraldehyde, UNII-47H597M1YY, C5H10O, CID7284, 47H597M1YY, C5-H10-O, UN3371, M0166, 2-Methylbutyraldehyde, 90% - 100G 100g, 26140-47-6, 57456-98-1,

Complexity	41.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	86.073g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	86.134g/mol
Monoisotopic Mass	86.073g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H225-H317-H319-H335
Precuationary statements	P210-P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

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