ChemicalBook--->CAS DataBase List--->659-40-5

659-40-5

659-40-5 Structure

659-40-5 Structure
IdentificationBack Directory
[Name]

2-hydroxyethanesulphonic acid, compound with 4,4'-[hexane-1,6-diylbis(oxy)]bis[benzenecarboxamidine] (2:1)
[CAS]

659-40-5
[Synonyms]

2535RP
HD-100
HP-100
RP-2535
Esomedina
SymCalmin
Desomedine
Ophtamedine
4'-[hexane-1
Elestab HP 100
compound with 4
Bioactive HD 100
Hexamidine isethionate
hexamidine disethionate
EXAMIDINE DIISETHIONATE
HEXAMIDINE DIISETHIONATE
HEXAMIDINE DIISETHIONATE(HD)
Hexamidine bis (isethionate) salt
Hexamidine 2-hydroxyethansulfonate
4,4'-Diamidino-α,ω-diphenoxyhexane isethionate
6-diylbis(oxy)]bis[benzenecarboxamidine] (2:1)
4,4'-(Hexane-1,6-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)
2-Hydroxyethanesulfonic acid - 4,4'-[1,6-hexanediylbis(oxy)]dibenzenecarboximidamide (1:1)
4-[6-(4-Carbamimidoylphenoxy)hexoxy]benzenecarboximidamide 2-hydroxyethanesulfonnate (1:2)
2-Hydroxyethansulfonsure, Verbindung mit 4,4′-(Hexan-1,6-diylbis(oxy))bis(benzolcarboxamidin) (2:1)
2-Hydroxyethanesulphonic acid,compoundwith4,4'-[hexane-1,6-diylbis(oxy)]bis[benzenecarboxamidine](2:1)
Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4-1,6-hexanediylbis(oxy)bisbenzenecarboximidamide (2:1)
2-hydroxyethanesulphonic acid, compound with 4,4'-[hexane-1,6-diylbis(oxy)]bis[benzenecarboxamidine] (2
2-hydroxyethanesulphonic acid, compound with 4,4'-[hexane-1,6-diylbis(oxy)]bis[benzenecarboxamidine] (2:1)
[EINECS(EC#)]

211-533-5
[Molecular Formula]

C20H26N4O2.2C2H6O4S
[MDL Number]

MFCD04112907
[MOL File]

659-40-5.mol
[Molecular Weight]

606.714
Chemical PropertiesBack Directory
[Appearance]

White or slightly yellow powder, hygroscopic
[Melting point ]

246-247° (dec)
[density ]

671[at 20℃]
[vapor pressure ]

0Pa at 20℃
[solubility ]

Sparingly soluble in water, slightly soluble in ethanol (96 per cent), practically insoluble in methylene chloride
[form ]

neat
[Water Solubility ]

48.2g/L at 20℃
[Major Application]

pharmaceutical (small molecule)
[Cosmetics Ingredients Functions]

ANTI-SEBORRHEIC
PRESERVATIVE
ANTIMICROBIAL
[Cosmetic Ingredient Review (CIR)]

Hexamidine diisethionate (659-40-5)
[Contact allergens]

Hexamidine is an antiseptic active against Grampositive bacteria and fungi, used as a disinfectant and a preservative in cosmetics. It induces papulo-vesicular and diffuse allergic contact dermatitis.
[InChIKey]

NBVZMBLJRHUOJR-UHFFFAOYSA-N
[SMILES]

C(CO)S(O)(=O)=O.O(C1C=CC(C(N)=N)=CC=1)CCCCCCOC1C=CC(C(N)=N)=CC=1
[LogP]

4.47 at 25℃
[Uses]

hexamidine diisethionate is an anti-microbial and preservative targeting fungi and yeast. It may also have some emollient capacities.
Hazard InformationBack Directory
[Uses]

Preservative in cosmetics.
[Description]

Hexamidine diisethionate (HEX D) is an organic salt form of Hexamidine, which has been used as an antimicrobial agent in the personal care industry and in a variety of over-the-counter (OTC) products. For example, 0.05% HEX D solution (Keratosept?) is a new antimicrobial drop for the treatment of eye infections and is better tolerated than povidone iodine. In personal care, Hexamidine has adverse reactions such as photosensitivity and contact allergy. Therefore, the European safety assessment recommends that the content of HEX D in leave-on and rinse-off cosmetics should not exceed 0.1%[1-2].
[Chemical Properties]

White or slightly yellow powder, hygroscopic
[Application]

Hexamidine Diisethionate is a preservative, antibacterial, and anti-inflammatory agent extensively used in cosmetics and personal care products. It prevents bacterial and fungal growth in formulations as well as fights off acne-causing bacteria on the skin. This synthetic ingredient is often used alongside other preservatives to enhance its effectiveness in improving the shelf life of beauty formulations. Hexamidine Diisethionate is ideal for sensitive skin to reduce redness or irritation, especially in eczema-prone or rosacea-prone skin.
[Flammability and Explosibility]

Notclassified
[Toxicology]

Acute oral LD(50) values of Hexamidine Diisethionate were 0.71 to 2.5 g/kg in mice and 0.75 g/kg in rats. Dermal exposure to 4 g/kg Hexamidine Diisethionate in rats or up to 9.4 ml/kg of a 0.1% Hexamidine Diisethionate solution under occlusion in rabbits produced no mortality or other signs of toxicity. The no-observed-effect level (NOEL) for oral subchronic toxicity of Hexamidine Diisethionate in rats was 50 mg/kg/day. No signs of toxicity were observed with 2% Hexamidine Diisethionate in subchronic studies using rabbits. Application of 0.1 ml of 0.11% Hexamidine Diisethionate in aqueous solution to the eyes of rabbits produced transient reactions; 0.05% produced no reactions. Slight erythema was observed with 0.10% Hexamidine Diisethionate applied to the abraded skin of 1/11 albino rabbits. A 40% solution of Hexamidine Diisethionate applied to 10% of the body surface of rats produced slight erythema, slight edema, and scabbing in some animals at varying times after treatment. Hexamidine Diisethionate was not a sensitizer in the guinea pig maximization test or in an intracutaneous guinea pig sensitization test. Hexamidine Diisethionate was not a photosensitizer in albino rabbits. Hexamidine Diisethionate was not mutagenic in a bacterial reverse mutagenicity assay or clastogenic in mammalian cells. Hexamidine Diisethionate at 0.10% did not provoke primary irritation, inflammation, or sensitization in a clinical test of 200 human subjects[1].
[References]

[1] Final report on the safety assessment of Hexamidine and Hexamidine Diisethionate.[J]. International Journal of Toxicology, 2007, 26 Suppl 3: 79-88. DOI:10.1080/10915810701663168.
[2] F AVOGARO. Intravitreal injections primary prevention: a case-control study.[J]. European review for medical and pharmacological sciences, 2023, 27 8: 3664-3669. DOI:10.26355/eurrev\_202304\_32153.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P273-P391-P501
[RIDADR ]

2811
[WGK Germany ]

3
[REACH Registrations]

Active
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
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