AG000HFF

116-26-7 | 1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-

AG000HFF

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CAS Number	116-26-7
Catalog Number	AG000HFF(AGN-PC-0JL48Q)
Chemical Name	1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-
EC Number	204-133-7
FEMA Number	3389
IUPAC Name	2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
InChI	InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
InChI Key	SGAWOGXMMPSZPB-UHFFFAOYSA-N
MDL Number	MFCD00209531
Molecular Formula	C10H14O
Molecular Weight	150.2176
SMILES	CC1=C(C(CC=C1)(C)C)C=O
UNII	4393FR07EA
Synonyms	2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde, safranal, Safranal, 116-26-7, 2,3-Dihydro-2,2,6-trimethylbenzaldehyde, Dehydro-beta-cyclocitral, 1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-, 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde, 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde, (2,6,6-Trimethylcyclohexa-1,3-dienyl)methanal, 2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde, 1,1,3-Trimethyl-2-formylcyclohexa-2,4-diene, 2,6,6-Trimethylcyclohexa-1,3-dienyl methanal, 2,6,6-Trimethyl-1,3-cyclohexadienal, UNII-4393FR07EA, FEMA No. 3389, EINECS 204-133-7, CHEBI:53169, SGAWOGXMMPSZPB-UHFFFAOYSA-N, 4393FR07EA, 2,6,6-Trimethylcyclohexa-1,3-dienylmethanal, 1,3-Cyclohexadiene-1-carboxaldehyde,2,6,6-trimethyl-, Safranal;, Dehydro-b-cyclocitral, AC1Q2EVK, AC1L1UF0, AC1Q6BK7, DSSTox_CID_29357, DSSTox_RID_83473, DSSTox_GSID_49398, SCHEMBL23561, Safranal, >=90%, stabilized, CHEMBL3183495, DTXSID7049398, CTK7H7827, FEMA 3389, SGAWOGXMMPSZPB-UHFFFAOYSA-, ZINC1851022, Tox21_202723, EBD956040, 3,4-didehydro-7-apo-b-caroten-7-al, AKOS022504707, AT-2733, FCH1119840, LS-3133, VZ22271, NCGC00260271-01, AN-22757, CAS-116-26-7, CC-06928, CJ-30568, 2.2.6-Trimethyl-I"4.6-dihydrobenzaldehyd, DB-019750, 2,3-Dihydro-2,2,6-TriMethyl-Benzaldehyde, FT-0631664, 1-Formyl-2,6,6-trimethyl-1,3-cyclohexadiene, C17062, 2,6,6-Trimethyl-cyclohexa-1,3-diencarbaldehyd;, 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde;, 2,6,6-trimethyl-cyclohexa-1,3-dienecarbaldehyde;, A803586, C-02865, 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde, J-003414, 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde #, 2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxaldehyde, 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde;, 2,6,6-Trimethyl-1,3-cyclohexadienecarboxaldehyde, 9CI, InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3, C10H14O, CID61041, C10-H14-O, 2,2,6-trimethyl-4,6-cyclohexadien-1-aldehyde, 2,3 - dihydro - 2,2,6 - trimethylbenzaldehyde, C087963, CYCLOHEXA-1,3-DIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.104g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	150.221g/mol
Monoisotopic Mass	150.104g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number