Chemical Name: Benzenesulfonic acid, dodecyl-
IUPAC Name: 4-(1-ethyldecyl)benzenesulfonic acid
CAS RN: 27176-87-0
Description: mixture or formulation
STRUCTURE Formula: C18H30O3S
Molecular Weight: 326.494
SMILES: O=S(C1=CC=C(C(CCCCCCCCC)CC)C=C1)(O)=O
Note: mixture benzenesulfonic acids with the dodecyl chain attached at the 2-,3-,or 4- position; structure shown 3-
Chemical Name: Hexanedioic acid, diisodecyl ester
IUPAC Name: bis(8-methylnonyl) adipate
CAS RN: 27178-16-1
Description: mixture or formulation
STRUCTURE Formula: C26H50O4
Molecular Weight: 426.6728
SMILES: O=C(OCCCCCCCC(C)C)CCCCC(OCCCCCCCC(C)C)=O
Note: mixture of isodecyl isomers, structure shown 8-methylnonyl
Chemical Name: Phenol, (1,1,3,3-tetramethylbutyl)-
IUPAC Name: 2-(1,1,3,3-tetramethylbutyl)phenol
CAS RN: 27193-28-8
Description: mixture or formulation
STRUCTURE Formula: C14H22O
Molecular Weight: 206.3239
SMILES: OC1=C(C(C)(C)CC(C)(C)C)C=CC=C1
Note: mixture of o-, m-, p- isomers, structure shown o-
Chemical Name: Phenol, dodecyl-
IUPAC Name: 2-dodecylphenol
CAS RN: 27193-86-8
Description: mixture or formulation
STRUCTURE Formula: C18H30O
Molecular Weight: 262.4302
SMILES: OC1=C(CCCCCCCCCCCC)C=CC=C1
Note: mixture of o-, m-, p- isomers, structure shown o-
Chemical Name: Nonene
IUPAC Name: (2E)-non-2-ene
CAS RN: 27215-95-8
Description: mixture or formulation
STRUCTURE Formula: C9H18
Molecular Weight: 126.2392
SMILES: C/C=C/CCCCCC
Note: mixture of 1,2,3,4-nonene and their Z,E isomers, structure shown 2E, stereochem
Chemical Name: Nitric acid, 2-ethylhexyl ester
IUPAC Name: 2-ethylhexyl nitrate
CAS RN: 27247-96-7
Description: single chemical compound
STRUCTURE Formula: C8H17NO3
Molecular Weight: 175.2255
SMILES: [O-][N+](OCC(CC)CCCC)=O
Note:
Chemical Name: 1,2,4-Benzenetricarboxylic acid, triisooctyl ester
IUPAC Name: tris(6-methylheptyl) benzene-1,2,4-tricarboxylate
CAS RN: 27251-75-8
Description: mixture or formulation
STRUCTURE Formula: C33H54O6
Molecular Weight: 546.7783
SMILES: O=C(OCCCCCC(C)C)C1=CC=C(C(OCCCCCC(C)C)=O)C=C1C(OCCCCCC(C)C)=O
Note: mixture of isooctyl isomers, structure shown 6-methylheptyl
Chemical Name: Neodecanoic acid, cobalt salt
IUPAC Name: cobalt(2+) bis(2-ethyl-2,5-dimethylhexanoate)
CAS RN: 27253-31-2
Description: mixture or formulation
STRUCTURE Formula: C20H38CoO4
Molecular Weight: 401.4465
SMILES: O=C([O-])C(CC)(C)CCC(C)C.O=C([O-])C(CC)(C)CCC(C)C.[Co+2]
Note: mixture of decanyl isomers and oxidative states of cobalt (+2, +3), structure shown 2-ethyl-2,5-dimethylhexanoic
Chemical Name: Acetic acid, mercapto-, isooctyl ester, antimony(3+) salt
IUPAC Name: antimony(3+) tris{2-[(6-methylheptyl)oxy]-2-oxoethanethiolate}
CAS RN: 27288-44-4
Description: mixture or formulation
STRUCTURE Formula: C30H57O6S3Sb
Molecular Weight: 731.725
SMILES: [S-]CC(OCCCCCC(C)C)=O.[S-]CC(OCCCCCC(C)C)=O.[S-]CC(OCCCCCC(C)C)=O.[Sb+3]
Note: mixture of isodecyl isomers, structure shown 8-methylnonyl
Chemical Name: Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
IUPAC Name: 4-(1-ethyldecyl)benzenesulfonic acid - 2,2',2''-nitrilotriethanol (1:1)
CAS RN: 27323-41-7
Description: mixture or formulation
STRUCTURE Formula: C24H45NO6S
Molecular Weight: 475.6822
SMILES: O=S(C1=CC=C(C(CCCCCCCCC)CC)C=C1)(O)=O.OCCN(CCO)CCO
Note: mixture benzenesulfonic acids with the dodecyl chain attached at the 2-,3-,or 4- position; structure shown 3-; parent [27176-87-0]
Chemical Name: 1,2-Benzenedicarboxylic acid, diisooctyl ester
IUPAC Name: bis(6-methylheptyl) phthalate
CAS RN: 27554-26-3
Description: mixture or formulation
STRUCTURE Formula: C24H38O4
Molecular Weight: 390.5561
SMILES: O=C(OCCCCCC(C)C)C1=CC=CC=C1C(OCCCCCC(C)C)=O
Note: mixture of isooctyl isomers, structure shown 6-methylheptyl
Chemical Name: Phenol, (1-methyl-1-phenylethyl)-
IUPAC Name: 3-(1-methyl-1-phenylethyl)phenol
CAS RN: 27576-86-9
Description: mixture or formulation
STRUCTURE Formula: C15H16O
Molecular Weight: 212.2869
SMILES: OC1=CC=CC(C(C2=CC=CC=C2)(C)C)=C1
Note: mixture of o-, m-, p- isomers, structure shown m-
Chemical Name: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-
IUPAC Name: 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione
CAS RN: 27676-62-6
Description: single chemical compound
STRUCTURE Formula: C48H69N3O6
Molecular Weight: 784.078
SMILES: O=C(N(CC4=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C4)C(N1CC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)=O)N(CC3=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C3)C1=O
Note:
Chemical Name: 2-Propenoic acid, 2-methyl-, monoester with 1,2-propanediol
IUPAC Name: 2-hydroxypropyl 2-methylacrylate
CAS RN: 27813-02-1
Description: mixture or formulation
STRUCTURE Formula: C7H12O3
Molecular Weight: 144.1684
SMILES: O=C(OCC(O)C)C(C)=C
Note: mixture of propyl esters, structure shown 2-hydroxypropyl
Chemical Name: Butanedioic acid, (tetrapropenyl)-
IUPAC Name: tetra-(1E)-prop-1-en-1-ylsuccinic acid
CAS RN: 27859-58-1
Description: mixture or formulation
STRUCTURE Formula: C16H22O4
Molecular Weight: 278.3435
SMILES: O=C(O)C(/C=C/C)(/C=C/C)C(/C=C/C)(/C=C/C)C(O)=O
Note: mixture of Z,E isomers, structure shown E, stereochem
Chemical Name: Benzene, ethenylethyl-
IUPAC Name: 1-ethyl-2-vinylbenzene
CAS RN: 28106-30-1
Description: mixture or formulation
STRUCTURE Formula: C10H12
Molecular Weight: 132.2023
SMILES: CCC1=C(C=C)C=CC=C1
Note: mixture of o-, m-, p- isomers, structure shown o-
Chemical Name: Octadecanoic acid, 2-(hydroxymethyl)-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl ester
IUPAC Name: 2-(Hydroxymethyl)-2-(((1-oxooctadecyl)oxy)methyl)propane-1,3-diyl distearate
CAS RN: 28188-24-1
Description: single chemical compound
STRUCTURE Formula: C59H114O7
Molecular Weight: 935.5323
SMILES: O=C(OCC(CO)(COC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCCC
Note:
Chemical Name: Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl
IUPAC Name: 2,6,6-trimethylbicyclo[3.1.1]hept-1-yl hydroperoxide
CAS RN: 28324-52-9
Description: single chemical compound
STRUCTURE Formula: C10H18O2
Molecular Weight: 170.2487
SMILES: OOC1(C2)C(C)CCC2C(C)1C
Note:
Chemical Name: Benzenesulfonic acid, (1-methylethyl)-, sodium salt
IUPAC Name: sodium 3-isopropylbenzenesulfonate
CAS RN: 28348-53-0
Description: mixture or formulation
STRUCTURE Formula: C9H11NaO3S
Molecular Weight: 222.2366
SMILES: O=S(C1=CC=CC(C(C)C)=C1)([O-])=O.[Na+]
Note: mixture of o-, m-, p- isomers, structure shown m-
Chemical Name: Nonanedioic acid, diisodecyl ester
IUPAC Name: bis(8-methylnonyl) azelaate
CAS RN: 28472-97-1
Description: mixture or formulation
STRUCTURE Formula: C29H56O4
Molecular Weight: 468.7525
SMILES: O=C(OCCCCCCCC(C)C)CCCCCCCC(OCCCCCCCC(C)C)=O
Note: mixture of isodecyl isomers, structure shown 8-methylnonyl
Chemical Name: Nonanol
IUPAC Name: nonan-1-ol
CAS RN: 28473-21-4
Description: mixture or formulation
STRUCTURE Formula: C9H20O
Molecular Weight: 144.2564
SMILES: CCCCCCCCCO
Note: mixture of nonanols, structure shown 1- [143-08-8]
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