AG00I9MH

5392-40-5 | 2,6-Octadienal, 3,7-dimethyl-

AG00I9MH

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CAS Number	5392-40-5
Catalog Number	AG00I9MH(AGN-PC-080YLX)
Chemical Name	2,6-Octadienal, 3,7-dimethyl-
FEMA Number	2303
IUPAC Name	(2E)-3,7-dimethylocta-2,6-dienal
InChI	InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
InChI Key	WTEVQBCEXWBHNA-JXMROGBWSA-N
MDL Number	MFCD00006997
Molecular Formula	C10H16O
Molecular Weight	152.2334
NSC Number	6170
RTECS Number	RG5075000
SMILES	CC(=CC=O)CCC=C(C)C
UN Number	2810
UNII	758ZMW724E
Synonyms	(E)-citral, (Z)-citral, citral, citral A, citral B, geranial, neral, Citral, GERANIAL, 5392-40-5, trans-Citral, 3,7-dimethylocta-2,6-dienal, geranialdehyde, 3,7-Dimethyl-2,6-octadienal, (E)-Citral, Citral a, Geranaldehyde, (2E)-3,7-dimethylocta-2,6-dienal, alpha-Citral, Lemsyn GB, (E)-Geranial, geranal, Genanial, beta-Geranial, (E)-Neral, Citral alpha, (E)-3,7-Dimethylocta-2,6-dienal, Citral (natural), 141-27-5, CITRAL NATURAL, trans-3,7-Dimethyl-2,6-octadienal, lemonal, Caswell No. 221B, citral-b, FEMA Number 2303, Lemarome n, NCI-C56348, 2,6-Octadienal, 3,7-dimethyl-, (E)-, 2,6-Octadienal, 3,7-dimethyl-, (2E)-, (E)-3,7-Dimethyl-2,6-octadienal, 3,7-Dimethyl-trans-2,6-octadienal, UNII-758ZMW724E, FEMA No. 2303, CCRIS 1043, HSDB 993, CITRAL SINTETICO, 2,6-Dimethyloctadien-2,6-al-8, 3,7-Dimethyl-1,2,6-octadienal, cis-3,7-Dimethyl-2,6-octadienal, NSC 6170, EINECS 205-476-5, EINECS 226-394-6, EPA Pesticide Chemical Code 040510, BRN 1721871, BRN 1721873, cis/trans-3,7-Dimethyl-2,6-octadienal, AI3-01011, AI3-28519, 147060-73-9, CHEBI:16980, Citral, mixture of cis and trans, NSC6170, WTEVQBCEXWBHNA-JXMROGBWSA-N, 758ZMW724E, MFCD00006997, Citral, analytical standard, Z-Citral, Citral, 95%, mixture of cis and trans, CHEBI:23316, polyprenal, polyprenals, Natural Citral, (Z)-3,7-Dimethyl-2,6-octadienal, alpha -Citral, cis,trans-Citral, (2Z)-3,7-Dimethyl-2,6-octadienal, Citral-A, .alpha.-Citral, 3,6-octadienal, cis/trans Citral;, LEMAROME, 3,2,6-octadienal, (2E)-3,7-Dimethyl-2,6-octadienal, Citral, cis + trans, AC1LCVGF, Citral, 95%, AC1Q1NUZ, AC1Q6POW, EC 205-476-5, EC 226-394-6, Citral Ex Litsea(Citral ), litsea cubeba oil terpeneless, SCHEMBL23073, 3-01-00-03053 (Beilstein Handbook Reference), 4-01-00-03569 (Beilstein Handbook Reference), GTPL6327, CHEMBL1080997, 3,7- dimethylocta-2,6-dienal, FEMA 2303, CHEBI:137934, InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7, WLN: VH1UY1&3Y1&U1, NSC-6170, ZINC1529208, 3,7-dimethyl-(e)-2,6-octadienal, BBL011666, SBB060834, STK802499, 3,7-dimethyl-(2e)-2,6-octadienal, AKOS000119519, Citral, natural, >=96%, FCC, FG, EBD2204555, LMPR0102010003, LS41486, RP21648, RTR-037028, (2E)-3,7-dimethyl-octa-2,6-dienal, Citral, Vetec(TM) reagent grade, 94%, NCGC00091550-01, NCGC00091550-02, NCGC00091550-03, NCGC00091550-04, AJ-26578, AN-21095, AN-23205, AS-35309, CJ-05166, CJ-23866, LS-97778, SC-26888, (2E)-3,7-dimethyl-2,6-octadien-1-al, TL8003535, TR-037028, ST24028249, ST50308094, 3,7-DIMETHYL-2,6-OCTADIENAL(TRANS), C01499, C15604, Citral, mixture of cis and trans, >=96%, FG, A829835, Q-200867, S14-1149, F0001-1403, UNII-T7EU0O9VPP component WTEVQBCEXWBHNA-JXMROGBWSA-N, 2,6-Octadienal,3,7-dimethyl-, reaction products with Et alc., GRQ, NERAL, cis-Citral, Citral b, Prenal, beta-Citral, (Z)-Citral, .beta.-Citral, |A-citral, (Z)-Neral, UNII-T7EU0O9VPP, CITICOLINE SODIUM, 2, 3,7-dimethyl-, 2,6-Octadienal, 3,7-dimethyl-, T7EU0O9VPP, D00VWN, Citral synth. min. 98 %, C10H16O, 2,6-octadienal, 3,7-dimetil-, Citral and ethanol reaction product, AR-1J3124, C10-H16-O, c1044, CID638011, LS-201, NA2810, UN2810, Reaction product of citral and ethanol, ACN-052275, 2,6-Octadienal, 3,7-dimethyl-, (E), 2,6-octadienal, 3,7-dimethyl-, (2E), 2,6-Octadienal, 3,7-dimethyl-, (Z)-, 2,6-Octadienal, 3,7-dimethyl-, (2Z)-, (E) - 3,7 - dimethylocta - 2,6 - dienal, C007076, Citral, 95%, mixture of isomers - 100ML 100ml, 2,6-Octadienal, 3,7-dimethyl-, reaction products with Et alc., trans-Citral = trans-3,7-Dimethyl-octa-2,6-dien-1-al,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	152.12g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	152.237g/mol
Monoisotopic Mass	152.12g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number