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259187

Sigma-Aldrich

Hexetidine, mixture of stereoisomers

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Synonym(s):
5-Amino-1,3-bis(2-ethylhexyl)hexahydro-5-methylpyrimidine, NSC 17764
Empirical Formula (Hill Notation):
C21H45N3
CAS Number:
141-94-6
Molecular Weight:
339.60
EC Number:
205-513-5
MDL number:
MFCD00010428
UNSPSC Code:
12352100
PubChem Substance ID:
24855691
NACRES:
NA.22

form

liquid

refractive index

n20/D 1.4649 (lit.)

bp

160 °C/0.4 mmHg (lit.)

solubility

acetone: soluble(lit.)
benzene: soluble(lit.)
chloroform: soluble(lit.)
ethanol: soluble(lit.)
hexane: soluble(lit.)
methanol: soluble(lit.)
petroleum ether: soluble(lit.)
water: insoluble(lit.)

density

0.889 g/mL at 25 °C (lit.)

SMILES string

CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1

InChI

1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3

InChI key

DTOUUUZOYKYHEP-UHFFFAOYSA-N

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General description

The effectiveness of a hexetidine mouthwash in reducing supragingival plaque and gingival inflammation has been examined.

Application

Involved in studies:
  • To identify pure liquid salt forms of aspirin
  • Of alkyl based selective displacers for protein purification via ion exchange chromatography
  • Of the in vivo application of models for testing drugs against nonreplicating Mycobacterium tuberculosis
  • Nutrient-sensitized screening for drugs that shift the energy metabolism from mitochondrial respiration to glycolysis
  • Inhibition of angiogensis
  • Screening antimalarial drugs

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

158.0 °F

Flash Point(C)

70 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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G R Linke et al.
Endoscopy, 44(7), 684-689 (2012-04-25)
Animal data and limited clinical evidence suggest a low incidence of infection following transvaginal natural orifice transluminal endoscopic surgery (NOTES). However, a systematic microbiological evaluation has not yet been carried out. The aim of this prospective cohort study was to
P A Versteeg et al.
International journal of dental hygiene, 8(4), 269-275 (2010-10-22)
To test the plaque inhibitory effect of an experimental 0.07% cetylpyridinium chloride (CPC) mouthrinse in a 3-day plaque accumulation model in a cross-over design. A total of 30 subjects (non-dental students), ≥18 years of age, were randomly assigned to use
S Shapiro et al.
Caries research, 36(2), 93-100 (2002-05-31)
The ability of commercial mouthrinses to reduce total viable counts of mixed microbial populations was examined using a previously developed in vitro model of supragingival plaque. Exploratory experiments aimed at fine-tuning the model indicated that optimal correspondence between in vitro
H Pontefract et al.
Journal of clinical periodontology, 28(4), 319-324 (2001-04-21)
There are both anecdotal clinical and laboratory experimental data suggesting that low pH mouthrinses cause dental erosion. This evidence is particularly relevant to acidified sodium chlorite (ASC) formulations since they have plaque inhibitory properties comparable to chlorhexidine but without the
G Giuliana et al.
Oral surgery, oral medicine, oral pathology, oral radiology, and endodontics, 87(1), 44-49 (1999-02-02)
Antimicrobial mouthrinses may represent a valid alternative to topical antifungal agents. However, the action of antimicrobials could be affected by the different ingredients incorporated into mouthrinse products. The purpose of the present study was to investigate the in vitro antifungal
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