AG003MVD

21834-92-4 | 5-Methyl-2-phenylhex-2-enal

AG003MVD

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CAS Number	21834-92-4
Catalog Number	AG003MVD(AGN-PC-0JT5TZ)
Chemical Name	5-Methyl-2-phenylhex-2-enal
EC Number	244-602-3
FEMA Number	3199
IUPAC Name	(E)-5-methyl-2-phenylhex-2-enal
InChI	InChI=1S/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/b13-9-
InChI Key	YURDCJXYOLERLO-LCYFTJDESA-N
MDL Number	MFCD00036615
Molecular Formula	C13H16O
Molecular Weight	188.2655
SMILES	CC(C)C/C=C(C1=CC=CC=C1)/C=O
UNII	935DI670UJ
Synonyms	5-Methyl-2-phenyl-2-hexenal, 21834-92-4, 5-Methyl-2-phenylhex-2-enal, Cocal, 2-phenyl-5-methyl-2-hexenal, UNII-935DI670UJ, 2-Phenyl-5-methylhex-2-enal, 935DI670UJ, (E)-5-methyl-2-phenylhex-2-enal, (2E)-5-methyl-2-phenylhex-2-enal, alpha-(3-Methylbutylidene)benzeneacetaldehyde, 188829-73-4, Benzeneacetaldehyde, .alpha.-(3-methylbutylidene)-, W-107517, cocoa hexenal, Fema No. 3199, E-, (E)-5-Methyl-2-phenyl-hex-2-enal, alpha-(3-Methylbutylidene)-Benzeneacetaldehyde, Benzeneacetaldehyde, alpha-(3-methylbutylidene)-, 5-Methyl-2-phenyl-hex-2-enal, (2E)-, AC1NSV2K, SCHEMBL891343, FEMA No. 3199, Benzeneacetaldehyde, alpha-(3-methylbutylidene)-, (E)-, FEMA 3199, 2-Hexenal, 5-methyl-2-phenyl-, YURDCJXYOLERLO-LCYFTJDESA-N, Benzeneacetaldehyde, alpha-(3-methylbutylidene)-, (alphaE)-, ZINC2384620, (E)-2-Phenyl-5-methyl-2-hexenal, EINECS 244-602-3, MFCD00036615, (2E)-5-Methyl-2-phenyl-2-hexenal, AKOS024348946, AM84770, 5-Methyl-2-phenyl-2-hexenal (natural), DS-11320, SC-70021, Benzeneacetaldehyde, a-(3-methylbutylidene)-, ST50827132, 5-Methyl-2-phenyl-2-hexenal, >=96%, FG, 5-methyl-2-phenyl-2-hexenal, No Antioxidant, a-(3-Methylbutylidene)benzeneacetaldehyde, 9CI, Benzeneacetaldehyde, alpha -(3-methylbutylidene)-, UNII-57UW55EC13 component YURDCJXYOLERLO-LCYFTJDESA-N, UNII-57UW55EC13, 57UW55EC13, ZINC02384620, CID5370602, 5-Methyl-2-phenyl-2-hexenal, 94% - 100G 100g,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	188.12g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.27g/mol
Monoisotopic Mass	188.12g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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