Chemical Name: Neodecanoic acid, ethenyl ester
IUPAC Name: vinyl 2-ethyl-2,5-dimethylhexanoate
CAS RN: 51000-52-3
Description: mixture or formulation
STRUCTURE Formula: C12H22O2
Molecular Weight: 198.3019
SMILES: O=C(OC=C)C(CC)(C)CCC(C)C
Note: mixture of decanyl isomers, structure shown 2-ethyl-2,5-dimethylhexanoate
Chemical Name: 1,3,5-Triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(dimethylamino)-1-methyl-
IUPAC Name: 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione
CAS RN: 51235-04-2
Description: single chemical compound
STRUCTURE Formula: C12H20N4O2
Molecular Weight: 252.3128
SMILES: O=C2/N=C(N(C)C(=O)N2C1CCCCC1)N(C)C
Note:
Chemical Name: C.I. Pigment Yellow 42
IUPAC Name:
CAS RN: 51274-00-1
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note: C.I. 77492
Chemical Name: Dimethyl (3-oxo-2-pentylcyclopentyl)malonate
IUPAC Name: dimethyl (3-oxo-2-pentylcyclopentyl)malonate
CAS RN: 51806-23-6
Description: single chemical compound
STRUCTURE Formula: C15H24O5
Molecular Weight: 284.3481
SMILES: O=C(OC)C(C1C(CCCCC)C(CC1)=O)C(OC)=O
Note:
Chemical Name: 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester
IUPAC Name: 2-mercaptoethyl (9Z,12Z)-octadeca-9,12-dienoate
CAS RN: 52147-29-2
Description: single chemical compound
STRUCTURE Formula: C20H36O2S
Molecular Weight: 340.5636
SMILES: SCCOC(CCCCCCCC=C/CC=C/CCCCC)=O
Note: stereochem
Chemical Name: 1-Hexadecanaminium, N,N-dihexadecyl-N-methyl-, chloride
IUPAC Name: N,N-dihexadecyl-N-methylhexadecan-1-aminium chloride
CAS RN: 52467-63-7
Description: single chemical compound
STRUCTURE Formula: C49H102ClN
Molecular Weight: 740.7939
SMILES: CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(C)CCCCCCCCCCCCCCCC.[Cl-]
Note: ammonium
Chemical Name: 2,5-Furandione, 3-(eicosenyl)dihydro-
IUPAC Name: 3-icos-19-en-1-yldihydrofuran-2,5-dione
CAS RN: 53520-67-5
Description: mixture or formulation
STRUCTURE Formula: C24H42O3
Molecular Weight: 378.5885
SMILES: O=C1OC(CC1CCCCCCCCCCCCCCCCCCC=C)=O
Note: mixture of eicosenyl isomers and their Z,E isomers, structure shown 19-en
Chemical Name: 1H-Azepine-1-carboxamide, N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo-
IUPAC Name: 2-oxo-N-[(1,3,3-trimethyl-5-{[(2-oxoazepan-1-yl)carbonyl]amino}cyclohexyl)methyl]azepane-1-carboxamide
CAS RN: 55954-19-3
Description: single chemical compound
STRUCTURE Formula: C24H40N4O4
Molecular Weight: 448.5988
SMILES: O=C(NC2CC(CNC(N3C(CCCCC3)=O)=O)(C)CC(C)(C)C2)N1C(CCCCC1)=O
Note:
Chemical Name: 2-Propanol, 1-(1,1-dimethylethoxy)-
IUPAC Name: 1-tert-butoxypropan-2-ol
CAS RN: 57018-52-7
Description: single chemical compound
STRUCTURE Formula: C7H16O2
Molecular Weight: 132.2007
SMILES: OC(COC(C)(C)C)C
Note:
Chemical Name: 1,3-Isobenzofurandione, hexahydro-4-methyl-
IUPAC Name: 4-methylhexahydro-2-benzofuran-1,3-dione
CAS RN: 57110-29-9
Description: single chemical compound
STRUCTURE Formula: C9H12O3
Molecular Weight: 168.1898
SMILES: O=C1C2C(C(C)CCC2)C(O1)=O
Note:
Chemical Name: Cyclopentane, tetrachloro-
IUPAC Name: 1,2,3,4-tetrachlorocyclopentane
CAS RN: 59808-78-5
Description: mixture or formulation
STRUCTURE Formula: C5H6Cl4
Molecular Weight: 207.9131
SMILES: ClC1C(Cl)CC(Cl)C1Cl
Note: mixture of tetrachloro compounds, structure shown 1,2,3,4-
Chemical Name: Amines, dicoco alkylmethyl
IUPAC Name:
CAS RN: 61788-62-3
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:
Chemical Name: Quaternary ammonium compounds, benzylcoco alkyldimethyl, chlorides
IUPAC Name:
CAS RN: 61789-71-7
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:
Chemical Name: Fatty acids, tall-oil, monoesters with sorbitan
IUPAC Name:
CAS RN: 61791-48-8
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:
Chemical Name: Amines, N-coco alkyltrimethylenedi-
IUPAC Name:
CAS RN: 61791-63-7
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:
Chemical Name: Phosphorodithioic acid, O,O-bis(methylphenyl) ester, sodium salt
IUPAC Name: sodium O,O-bis(4-methylphenyl) dithiophosphate
CAS RN: 61792-48-1
Description: mixture or formulation
STRUCTURE Formula: C14H14NaO2PS2
Molecular Weight: 332.3533
SMILES: [S-]P(OC1=CC=C(C)C=C1)(OC2=CC=C(C)C=C2)=S.[Na+]
Note: mixture of o-, m-, and para isomers, structure shown p-
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