AG00FA0O

68039-49-6 | 2,4-Dimethyl-3-cyclohexenecarboxaldehyde

AG00FA0O

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CAS Number	68039-49-6
Catalog Number	AG00FA0O(AGN-PC-0WA5QF)
Chemical Name	2,4-Dimethyl-3-cyclohexenecarboxaldehyde
EC Number	268-264-1
IUPAC Name	2,4-dimethylcyclohex-3-ene-1-carbaldehyde
InChI	InChI=1S/C9H14O/c1-7-3-4-9(6-10)8(2)5-7/h5-6,8-9H,3-4H2,1-2H3
InChI Key	MZZRKEIUNOYYDF-UHFFFAOYSA-N
MDL Number	MFCD00221550
Molecular Formula	C9H14O
Molecular Weight	138.2069
SMILES	CC1=CC(C)C(C=O)CC1
Synonyms	68039-49-6, 2,4-Dimethyl-3-cyclohexenecarboxaldehyde, 2,4-Dimethylcyclohex-3-ene-1-carbaldehyde, 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-, 4-Formyl-1,3-dimethylcyclohex-1-ene, 2,4-dimethylcyclohex-3-enecarbaldehyde, 2,4-Dimethyl-cyclohex-3-enecarbaldehyde, 2,4-dimethyl-3-cyclohexene-1-carbaldehyde, 2,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXALDEHYDE, W-104692, 3-Cyclohexene-1-carboxaldehyde, 2,4(or 3,5)-dimethyl-, 68737-61-1, Lantral/Triplal, EINECS 268-264-1, 2,4-ivy carbaldehyde, 2,4-Dimethyl-3-cyclohexene carboxaldehyde, AC1Q6PZC, AC1L3Q2V, 3-Cyclohexenene-1-carboxaldehyde, 2,4-dimethyl, DSSTox_CID_24574, DSSTox_RID_80323, DSSTox_GSID_44574, KSC354O1J, SCHEMBL115614, CHEMBL3185383, DTXSID5044574, CTK2F4714, MZZRKEIUNOYYDF-UHFFFAOYSA-N, EINECS 272-113-5, Tox21_301644, FCH840066, MFCD00221550, STK760091, AKOS000555935, AKOS024307563, 2,4-dimethyl-3-cyclohexenecarbaldehyde, MCULE-4834546197, RP20472, NCGC00255904-01, 2,4-Dimethyl-cyclohex-3-ene carbaldehyde, AN-38191, BAS 01153239, S560, 2,4-dimethyl-3-cyclo-hexenecarboxaldehyde, 2,4-dimethyl-3-cyclohexene-carboxaldehyde, CAS-68039-49-6, DB-073959, RT-003743, ST4045688, FT-0686459, KS-00001136, 039T496, 2,4-Dimethyl-3-cyclohexenecarboxaldehyde, >=97%, 2,4(or 3,5)-Dimethylcyclohex-3-ene-1-carbaldehyde, I14-16501, A1994/0083786, Ligustral, Trivertal, TRIPLAL, UNII-452GFV2AFS, C9H14O, 452GFV2AFS, Dimethyl tetrahydrobenzaldehyde, C9-H14-O, CID93375, AR-1G2372, ZINC04524376, Dimethylcyclohex-3-ene-1-carbaldehyde, 2,4-dimethyl-3-cyclohexen-1-carboxaldehyde, 3-ciclohexeno-1-carboxaldehido, 2,4-dimetil-, 2, 4- dimethylcyclohex- 3- ene- 1- carbaldehyde, 2,4 - dimethylcyclohex - 3 - ene - 1 - carbaldehyde, 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl- (9CI), 705-19-1,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.104g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	138.21g/mol
Monoisotopic Mass	138.104g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H226-H315-H319-H335-H411
Packing Group	Ⅲ
Precautionary statements	P261-P273-P305+P351+P338
UN Code	UN 3082

Certificate of Analysis

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