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CAS

Formula

Sodium dehydroacetate

CAS4418-26-2

FormulaC8H7O4.Na

Synonym2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium, 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium salt, 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt, 3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione, sodium salt, 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium, 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium salt, 4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo, delta-lactone, sodium derivative, Caswell No. 278A, CCRIS 1895, Dehydroacetic acid, sodium salt, DHA-S, DHA-sodium, DHN, EINECS 224-580-1, EPA Pesticide Chemical Code 027802, Harven, HSDB 4236, Kyselina dehydroacetova sodna sul, Kyselina dehydroacetova sodna sul [Czech], New Side S 01, Prevan, Sodium 3-acetyl-6-methyl-2,4-pyrandione, Sodium 3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione, Sodium dehydroacetate, UNII-8W46YN971G, 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium, 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium (1:1), 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, monosodium salt, Sodium 1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate, Sodium dehydroacetate, Superlist Name Sodium dehydroacetate, Registry Numbers ?CAS Registry Number 4418-26-2, FDA UNII 8W46YN971G, Other Registry Numbers 20330-10-3, 56172-68-0, 6381-84-6, 71756-27-9, 74240-24-7, 78891-90-4, System Generated Number 0004418262, Molecular Formulas ?Molecular Formula C8-H7-O4.Na, Molecular Formula Fragments C8-H7-O4, COMPONENT, Na, Sodium dehydroacetate, Dehydroacetic acid sodium salt, DHA-Na, 4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, D-lactone, sodium deriv., 3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione sodium salt, 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, monosodium salt Sodium dehydroacetic acid, Sodium dehydroxyacetate, Sodium 1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene) ethanolate

Molecular weight190.13

SMILESC1([C@@-](C(OC(=C1)C)=O)C(C)=O)=O.[Na+]

Tributyltin benzoate

CAS4342-36-3

FormulaC19H32O2Sn

SynonymTributyltin benzoate, Benzoyloxytributylstannane

Tributyltin salicylate

CAS4342-30-7

FormulaC19H32O3Sn

SynonymTributyltin salicylate, Salicyloyloxytributylstannane, Tributylsalicyloyloxy stannane, Tri-n-butyltin salicylate

Molecular weight427.17

SMILES[Sn](OC(c1c(cccc1)O)=O)(CCCC)(CCCC)CCCC

MEA-benzoate

CAS4337-66-0

FormulaC7H6O2 C2H7NO

SynonymMEA-benzoate, Benzoate of monoethanolamine, Benzoic acid, compd. with 2-aminoethanol, Benzoic acid, compd. with 2-aminoethanol (11), Benzoic acid, ethanolamine salt, Ethanolamine benzoate Ethanol, 2-amino-, benzoate (salt), Monoethaneamine benzoate, Monoethanolamine benzoate

Potassium butyl paraben

CAS38566-94-8

FormulaC11H14O K

SynonymPotassium butyl paraben, n-Butyl-4-hydroxybenzoate potassium salt, Butylparaben, potassium salt, Potassium butyl 4-oxidobenzoate

Molecular weight695.59

SMILESc12c(c(ccc1Nc1ccccc1)\N=N\c1c3c(cc(c1)S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3O)cccc2S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Atmospheric OH Rate Constant1.60E-10 cm3/molecule-sec

log P (octanol-water)-1.140

Hexamidine

CAS3811-75-4

FormulaC20H26N4O2

SynonymHexamidine, Benzenecarboximidamide, 4,4-[1,6-hexanediylbis (oxy) bis-, 4,4-[1,6-Hexanediylbis (oxy) bisbenzenecarboximidamide

Olealkonium chloride

CAS37139-99-4

FormulaC27H48N Cl

SynonymOlealkonium chloride, N,N-Dimethyl-N-9-octadecenylbenzenemethanaminium chloride, Oleyl benzyl dimethyl ammonium chloride, Oleyl dimethyl benzyl ammonium chloride

Sodium butylparaben

CAS36457-20-2

FormulaC11H14O3 Na

SynonymSodium butylparaben, Butylparaben, sodium salt, p-Hydroxybenzoic acid, butyl ester, sodium salt, Sodium butyl 4-hydroxybenzoate, Sodium n-butyl-4-hydroxybenzoate, Sodium butyl-p-hydroxybenzoate

Potassium ethylparaben

CAS36457-19-9

FormulaC9H10O3 K

SynonymPotassium ethylparaben, Ethyl-4-hydroxybenzoate potassium salt, Ethylparaben, potassium salt, Potassium ethyl 4- oxidobenzoate

Sodium ethylparaben

CAS35285-68-8

FormulaC9H10O3 Na

SynonymSodium ethylparaben, Ethylparaben, sodium salt, 4-Hydroxybenzoic acid, ethyl ester, sodium salt, Sodium 4-ethoxycarbonylphenoxide, Sodium ethyl 4-hydroxybenzoate, Sodium ethyl p-hydroxybenzoate

2[(-Hydroxymethyl) amino] ethanol

CAS34375-28-5

FormulaC3H9NO2

Synonym2[(-Hydroxymethyl) amino] ethanol, Ethanol, 2-(hydroxymethylamino)-

Sodium undecylenate

CAS3398-33-2

FormulaCH2CH(CH2)8COONa

SynonymSodium undecylenate, Sodium undec-10-enoate, 10-Undecenoic acid, sodium salt

Potassium propionate

CAS327-62-8

FormulaC3H5KO2

SynonymPotassium propionate, Propanoic acid, potassium salt

Molecular weight112.17

InChI1S/C3H6O2.K/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1

Dodemorph-acetate

CAS31717-87-0

FormulaC18H35NO.C2H4O2

Synonym4-Cyclododecyl-2,6-dimethylmorpholine acetate, 4-Cyclododecyl-2,6-dimethylmorpholinium acetate, Acetate de dodemorphe, Acetate de dodemorphe [French], BAS 2382 F, BAS 238F, BASF mehltaumittel, Caswell No. 268C, Caswell No. 268E, Cyclododecyl-2,6-dimethylmorpholine acetate, Cyclomorph, Dodemorfe, Dodemorfe [French], Dodemorph acetate, EINECS 250-778-2, EPA Pesticide Chemical Code 110401, EPA Pesticide Chemical Code 213600, Mehltaumittel, Meltox, Milban, N-Cyclododecyl-2,6-dimethylmorpholinacetat, N-Cyclododecyl-2,6-dimethylmorpholinacetat [German], N-Cyclododecyl-2,6-dimethylmorpholinium acetate, UNII-CV8I2Y8TTR, Dodemorph acetate, Morpholine, 4-cyclododecyl-2,6-dimethyl-, acetate, Morpholine, N-cyclododecyl-2,6-dimethyl-, acetate, Superlist Name 4-Cyclododecyl-2,6-dimethylmorpholine acetate, Registry Numbers CAS Registry Number 31717-87-0, FDA UNII CV8I2Y8TTR, Related Registry Number 1593-77-7 (Parent), System Generated Number 0031717870, Molecular Formulas ?Molecular Formula C18-H35-N-O.C2-H4-O2, Molecular Formula Fragments C18-H35-N-O, C2-H4-O2, COMPONENT, Dodemorph-acetate, Cyclododecyl-2,6-dimethylmorpholine acetate, 4-Cyclododecyl-2,6-dimethylmorpholinium acetate, N-Cyclododecyl-2,6-dimethylmorpholinium acetate, Cyclomorph, Dodemorph

Molecular weight341.53

SMILESN1(C2CCCCCCCCCCC2)C[C@@H](O[C@@H](C1)C)C.C(C)(O)=O

Bis (trichloromethyl) sulfone

CAS3064-70-8

FormulaC2Cl6O2S

SynonymBis (trichloromethyl) sulfone, Chlorosulfona, Methane, sulfonylbis trichloro-, Sulfonylbis (trichloromethane)

Molecular weight300.80

SMILESS(C(Cl)(Cl)Cl)(C(Cl)(Cl)Cl)(=O)=O

Diethylene glycol benzyl ether

CAS2050-25-1

FormulaC11H16O3

Synonym2-[2-(BENZYLOXY)ETHOXY]ETHANOL, DI(ETHYLENE GLYCOL) BENZYL ETHER, DIETHYLENE GLYCOL MONOBENZYL ETHER, 2-[2-(phenylmethoxy)ethoxy]-Ethanol, 5-(Benzyloxy)-3-oxapentane-1-ol, Benzyl-PEG3-alcohol, Benzyl-PEG2-alcohol, Di(ethylene glycol) benzyl ether 97%, 2-[2-(BENZYLOXY)ETHOXY]ETHANOL, Diethylene glycol benzyl ether, 2-[2-(Benzyloxy) ethoxy] ethanol, Diglycol benzyl ether

Molecular weight196.24

Dehydroabietylamine acetate

CAS2026-24-6

FormulaC22H35NO2; C20H31N.C2H4O2

SynonymDEHYDROABIETYLAMINE ACETATE, 11,13-trien-15-amine,13-isopropyl-podocarpa-acetate, 1-phenanthrenemethanamine,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-me, acetate,(1r-(1-alpha,4a-beta,10a-alpha))-thylethyl), acetate,[1theta-(1alpha,4abeta,10aalpha)]-hylethyl), DEHYDROABIETYLAMINE ACETATE, TECH., 85%, DELRAD, Podocarpa-8,11,13-trien-15-amine, 13-isopropyl-, acetate, Caswell No. 276A, Dehydroabietylamine acetate, EINECS 217-973-4, EPA Pesticide Chemical Code 004201, NSC 12147, NSC 30331, Podocarpa-8,11,13-trien-15-amine, 13-isopropyl-, acetate, Rosin amine D acetate, UNII-6T3HO6F2VP, 1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-, acetate, 1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-, acetate (1:1), 1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, acetate, (1R-(1-alpha,4a-beta,10a-alpha))-, 1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-,acetate, (1R-(1alpha,4abeta,10aalpha))- (9CI), Dehydroabietylamine acetate, Podocarpa-8,11,13-trien-15-amine, 13-isopropyl-, acetate (8CI), Superlist Name Dehydroabietylamine acetate, Registry Numbers CAS Registry Number 2026-24-6, FDA UNII 6T3HO6F2VP, Other Registry Number 54842-64-7, System Generated Number 0002026246, Molecular Formulas ?Molecular Formula C20-H31-N.C2-H4-O2, Molecular Formula Fragments C2-H4-O2, C20-H31-N, COMPONENT, Dehydroabietylamine acetate, 1-Phenanthrene methanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, acetate, (1R-(1-a,4a-b,10a-a-))-

Molecular weight345.52

EINECS217-973-4

SMILESC1C[C@@]2(c3c(CC[C@H]2[C@](C)(C1)CN)cc(C(C)C)cc3)C.OC(C)=O

Diiodomethyl tolylsulfone

CAS20018-09-1

FormulaC8H8I2O2S

Synonym1-((diiodomethyl)sulfonyl)-4-methyl-benzen, 1-[(diiodomethyl)sulfonyl]-4-methyl-benzen, amical48, Benzene,1-((diiodomethyl)sulfonyl)-4-methyl-, diiodomethyl, Toluene,4-(diiodomethylsulfonyl)-, DIIODO METHYL P-TOLYLSULFONE, DIIODOMETHYL TOLYLSULFONE, Tolyl diiodomethyl sulfone, Diiodomethyl tolylsulfone, Benzene, 1-((diiodomethyl) sulfonyl)-4-methyl-, DIDST, 1-((Diiodomethyl) sulfonyl)-4-methylbenzene, 4-(Diiodomethylsulfonyl) toluene, Diiodomethyl p-tolyl sulfone

Molecular weight422.02

EINECS243-468-3

Phenylmercuric chloride

CAS100-56-1

FormulaC6H5ClHg

SynonymAgrenal, Agronal, Benzene, (chloromercurio)-, Chlorophenylmercury, Hexason, Merfazin, Mersolite 2, Phenyl chloromercury, Phenylmercuric chloride, Phenylmercury chloride, PMC, Phenylmercury(II) chloride, Benzene, (chloromercuri)-, Chlorid fenylrtutnaty, (Chloromercuri)benzene, Fenylmercurichlorid, Mercuriphenyl chloride, Phenylquecksilberchlorid, Stopspot, Mercutal, Monophenylmercury chloride, PMC (fungicide), (chloromercuri)-benzen, (chloromercurio)-benzen, Agrenal, Agronal, Benzene, (chloromercuri)-, Benzene, (chloromercurio)-, Chlorid fenylrtutnaty, chloridfenylrtutnaty, (Chloromercuri)benzene, 4-16-00-01720 (Beilstein Handbook Reference), Agrenal, Agronal, AI3-14667, Benzene, (chloromercurio)-, BRN 3536717, Caswell No. 656E, Chlorid fenylrtutnaty, Chlorid fenylrtutnaty [Czech], Chlorophenylmercury, EINECS 202-865-1, EPA Pesticide Chemical Code 066007, Fenylmercurichlorid, Fenylmercurichlorid [Czech], Hexason, Hexasonum (base), HSDB 2056, Mercuriphenyl chloride, Mercutal, Merfazin, Mersolite 2, Monophenylmercury chloride, Phenyl chloromercury, Phenylmercuric chloride, Phenylmercury chloride, Phenylquecksilberchlorid, Phenylquecksilberchlorid [German], PMC, PMC (fungicide), Stopspot, UNII-X0R4ES0U7Z, Chlorophenylmercury, Mercury, chlorophenyl-, Phenylmercury chloride, Phenylmercuric chloride, Benzene, (chloromercurio)-, (Chloromercuri) benzene, Chloromercuribenzene, Chlorophenylmercury, Mercuriphenyl chloride Mercury, chlorophenyl-, Phenyl chloromercury, Phenylmercury chloride, PMC

Molecular weight1,165.03

EINECS240-521-2

SMILES[Na+].[Na+].[Na+].[Na+].OCCN(CCO)c1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N(CCO)CCO)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1

Molecular weight313.15

EINECS202-865-1

SMILESc1(ccccc1)[Hg]Cl

InChI1S/C6H5.ClH.Hg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1

Henry's Law Constant2.65E-04 atm-m3/mole

Water solubility310 mg/L

Melting Point251 ° C

Vapor Pressure0.028 mm Hg

log P (octanol-water)1.78

Atmospheric OH Rate Constant1.95E-12 cm3/molecule-sec

Merck14,7301

Storage TemperaturePoison room

Water solubilitySoluble in benzene, ether, pyridine. Very slightly soluble in water

Melting Point248-250 °C (dec.)

Phenylparaben

CAS17696-62-7

FormulaC13H10O3

SynonymPHENYL 4-HYDROXYBENZOATE, PHENYL P-HYDROXYBENZOATE, PHENYLPARABEN, 4-HYDROXYBENZOIC ACID PHENYL ESTER, 4-HYDROXYBENZOIC ACID PHENYL ESTER 99+%, p-Hydroxybenzoic acid phenyl ester, Phenyl 4-Hydrobenzoate, 4-Hydroxybenzoic Acid Phenyl EsterPhenylparaben, PHENYL 4-HYDROXYBENZOATE, Phenylparaben, Benzoic acid, 4-hydroxy-, phenyl ester, 4-Hydroxybenzoic acid, phenyl ester, p-Hydroxybenzoic acid, phenyl ester, Phenyl 4-hydroxybenzoate

Molecular weight214.22

EINECS241-698-9

Melting Point176 °C

Ammonium propionate

CAS17496-08-1

FormulaC3H9NO2

SynonymPropionic acid, ammonium salt, Propanoic acid, ammonium salt, Propanoic acid,ammonium salt, Propionic acid ammonium, Luprosil NC, Ammonium propionate, Propanoic acid, ammonium salt

Molecular weight91.11

EINECS241-503-7

Behentrimonium chloride

CAS17301-53-0

FormulaC25H54ClN; C25H54N.Cl

Synonymdocosyltrimethylammonium chloride, Bihenyl trimethyl ammonium chloride, BEHENTRIMONIUM CHLORIDE, BehenylTrimethylAmmoniumChloride, 1-Docosanaminium, N,N,N-trimethyl-, chloride, 1-Docosanaminum, N,N,N-trimethyl chloride, N-Behenyl-N,N,N-trimethylammonium chloride, Docosane-1-yltrimethylaminium·chloride, docosyltrimethylammonium chloride, EINECS 241-327-0, UNII-X7GNG3S47T, 1-Docosanaminium, N,N,N-trimethyl-, chloride (1:1), Docosyltrimethylammonium chloride, Behentrimonium chloride, Behenyl trimethyl ammonium chloride, 1-Docosanaminium, N,N,N-trimethyl-, chloride, N,N,N-Trimethyl-1-docosanaminium chloride

Molecular weight404.16

EINECS241-327-0

SMILESCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]

Potassium paraben

CAS16782-08-4

FormulaC7H5KO3; C7H6O3.K

SynonymP-HYDROXYBENZOIC ACID POTASSIUM SALT, POTASSIUM P-HYDROXYBENZOATE, POTASSIUM 4-HYDROXYBENZOATE, 4-HYDROXYBENZOIC ACID MONOPOTASSIUM SALT, Benzoicacid,4-hydroxy-,monopotassiumsalt, POTASSIUM PARABEN, Einecs 240-830-2, P-HYDROXYBENZOIC ACID POTASSIUM SALT, EINECS 240-830-2, UNII-UHZ6Y0A8VR, Systematic Name Potassium 4-hydroxybenzoate, Registry Numbers CAS Registry Number 16782-08-4, FDA UNII UHZ6Y0A8VR, Related Registry Number 99-96-7 (Parent), System Generated Number 0016782084, Molecular Formulas ?Molecular Formula C7-H6-O3.K, Molecular Formula Fragments C7-H6-O3, COMPONENT, K, Potassium paraben, Benzoic acid, 4-hydroxy-, potassium salt, 4-Hydroxybenzoic acid, potassium salt, p-Hydroxybenzoic acid, potassium salt, Potassium 4-hydroxybenzoate

Molecular weight176.21

EINECS240-830-2

SMILESC(c1ccc(cc1)O)(=O)[O-].[K+]

Sodium p-chloro-m-cresol

CAS15733-22-9

FormulaC7H6ClNaO; C7H7ClO.Na

Synonym1-PHENYL-1-CHLOROETHANE SODIUM SALT, 2-CHLORO-5-HYDROXYTOLUENE SODIUM SALT, 6-CHLORO-3-HYDROXYTOLUENE SODIUM SALT, 4-CHLORO-3-METHYLPHENOL SODIUM SALT, 4-CHLOR-3-METHYLPHENOL SODIUM SALT, 4-CHLORO-M-CRESOL SODIUM SALT, 3-METHYL-4-CHLOROPHENOL SODIUM SALT, SODIUM P-CHLORO-M-CRESOLATE, 2-CHLORO-5-HYDROXYTOLUENE SODIUM SALT, 4-Chloro-m-cresol sodium salt, Caswell No. 756, EINECS 239-825-8, EPA Pesticide Chemical Code 064205, Sodium 4-chloro-3-methylphenolate, Sodium 4-chloro-3-methylphenoxide, Sodium 4-chloro-m-cresolate, Sodium p-chloro-m-cresolate, UNII-343KVA8Y38, Phenol, 4-chloro-3-methyl-, sodium salt, Phenol, 4-chloro-3-methyl-, sodium salt (1:1), Sodium p-chloro-m-cresolate, Sodium p-chloro-m-cresol, p-Chloro-m-cresol, sodium salt, 3-Methyl-4-chlorophenol, sodium salt, Sodium p-chloro-m-cresolate, Sodium p-chloro-m-methylphenate, Sodium 4-chloro-3-methylphenolate

Molecular weight164.56

EINECS239-825-8

SMILES[O-]c1cc(C)c(Cl)cc1.[Na+]

D-b-Tocopherol

CAS148-03-8

FormulaC28H48O2

Synonym.beta.-Tocopherol, 5,8-DIMETHYLTOCOL, RAC-BETA-TOCOPHEROL, beta-tocopherol, 3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol, Tocopherol,rac-b-, (2R)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol, rac-ß-Tocopherol solution, 3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol, 5,8-DIMETHYLTOCOL, 2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol, beta-Tocopherol, Cumotocopherol, EINECS 205-708-5, Neotocopherol, p-Xylotocopherol, UNII-8K9365K9PX, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, (2R)-rel-, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-, 3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol, D-b-Tocopherol

Molecular weight416.68

EINECS205-708-5

InChI1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3

SMILESCc1cc(c(c2c1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O

log P (octanol-water)11.63

Atmospheric OH Rate Constant2.30E-10 cm3/molecule-sec

Melting Point< 25 ° C

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