AG003HHM

35158-25-9 | (2E)-5-methyl-2-(propan-2-yl)hex-2-enal

AG003HHM

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CAS Number	35158-25-9
Catalog Number	AG003HHM(AGN-PC-0JKPFP)
Chemical Name	(2E)-5-methyl-2-(propan-2-yl)hex-2-enal
EC Number	252-406-4
FEMA Number	3406
IUPAC Name	(E)-5-methyl-2-propan-2-ylhex-2-enal
InChI	InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3/b10-6-
InChI Key	IOLQAHFPDADCHJ-POHAHGRESA-N
MDL Number	MFCD00036616
Molecular Formula	C10H18O
Molecular Weight	154.2493
SMILES	C(C)(C)C(C=O)=CCC(C)C
UNII	FI8O66176J
Synonyms	2-Isopropyl-5-methyl-2-hexenal, 35158-25-9, Isodihydroavandulyl aldehyde, Isodihydrolavandulyl aldehyde, UNII-FI8O66176J, FEMA No. 3406, 2-Isopropyl-5-methylhex-2-enal, 2-Hexenal, 2-isopropyl-5-methyl-, alpha-Isopropyl-beta-isobutylacrolein, EINECS 252-406-4, 2-Isopropyl-5-methyl-2-hexen-1-al, 5-Methyl-2-(1-methylethyl)-2-hexenal, 2-Isopropyl-5-methyl-hex-2-enal, (2E)-, 2-Hexen-1-al, 5-methyl-2-(1-methylethyl)-, FI8O66176J, 5-methyl-2-propan-2-ylhex-2-enal, 69104-96-7, 2-HEXEN-1-AL, 2-ISOPROPYL-5-METHYL-, 5-Methyl-2-isopropyl-2-hexenal, (E)-2-isopropyl-5-methylhex-2-enal, FEMA no. 3406, E-, Isodehydrolavandulal, isodihydrolavandulal, cis-5-Methyl-2-isopropyl-2-hexen-1-al, Isodihydro lavandulal, (E)-2-Isopropyl-5-methyl-hex-2-enal, AC1NSG7A, AC1Q1OAO, (E)-2-(1-Methylethyl)-5-methylhex-2-enal, LAVENDER ALDEHYDE FCC, 2-Hexenal, 5-methyl-2-(1-methylethyl)-, (E)-, SCHEMBL459467, 2-Hexenal, 5-methyl-2-(1-methylethyl)-, (2E)-, Jsp006340, DTXSID30219168, IOLQAHFPDADCHJ-POHAHGRESA-N, ZINC2009356, MFCD00036616, (e)-2-isopropyl-5-methyl-2-hexenal, AKOS015903397, CS-W016266, FCH1116203, FCH3409695, FCH3746746, LS-2868, RTR-014516, (E)-5-methyl-2-propan-2-ylhex-2-enal, CJ-31081, I230, (2E)-2-Isopropyl-5-methyl-2-hexenal #, TR-014516, 2-Isopropyl-5-Methyl-2-Hexenal, Cis + Trans, C-52142, 2-ISOPROPYL-5-METHYL-2-HEXENAL, CIS+TRANS, W-106690, 2-Isopropyl-5-methyl-2-hexenal;Isodihydro lavandulal, I14-18853, UNII-7F8Q5STQ11 component IOLQAHFPDADCHJ-POHAHGRESA-N, UNII-7F8Q5STQ11, C10H18O, 7F8Q5STQ11, 2-Hexenal, 5-methyl-2-(1-methylethyl)-, C10-H18-O, CID5362661, 2 - isopropyl - 5 - methylhex - 2 - enal,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	154.136g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.253g/mol
Monoisotopic Mass	154.136g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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