Basic information
- CAS
66422-95-5- Standard SMILES
Cl.Cl.Nc1ccc(OCCO)c(N)c1- InChIKey
VXYWXJXCQSDNHX-UHFFFAOYSA-N- Molecular formula
- C8H14Cl2N2O2
- Average molar mass
- 241.11 g/mol
- Monoisotopic mass
- 240.04323305
Overview
See also: Xanthan Gum (annotation moved to); 2,4-Diaminophenoxyethanol Dihydrochloride (annotation moved to).
Names & identifiers
- Preferred name
- 2-(2',4'-Diaminophenoxy)ethanol dihydrochloride
- IUPAC
- 2-(2,4-diaminophenoxy)ethanol;dihydrochloride
- English name
- 2-(2,4-Diaminophenoxy)ethanol dihydrochloride
- Molecular formula
- C8H13ClN2O2
- Molecular weight
- 204.65
Names & synonyms
RefChem:9090672-(2',4'-DIAMINOPHENOXY)ETHANOL DIHYDROCHLORIDE2-(2,4-DIAMINOPHENOXY)ETHANOL DIHYDROCHLORIDE2,4-Diaminophenoxyethanol HCl2,4-Diaminophenoxyethanol 2HClMFCD000354942-(2,4-diaminophenoxy)ethanol;dihydrochloride2-(2,4-Diaminophenoxy)ethanol hydrochlorideEthanol, 2-(2,4-diaminophenoxy)-, hydrochloride (1:2)Z5Y843J6KQ4-(2-HYDROXYETHOXY)-1,3-PHENYLENEDIAMINE DIHYDROCHLORIDE2,4-DIAMINOPHENOXYETHANOL HYDROCHLORIDE
Show more names
2,4-DAPE2,4-DIAMINOPHENOXY-ETHANOL HCL4-DiaMinophenoxyethanol dihydrochlorideBlue 422-ISOPROPYTIOXANTHONE (ITX)4-DiaMinophenoxyethanol 2HCl2,4-Diaminophenoxyethano-HCl
HSDB 6259EINECS 266-357-1UNII-Z5Y843J6KQEthanol, 2-(2,4-diaminophenoxy)-, dihydrochloride (9CI); 2,4-Diamino-1-(2-hydroxyethoxy)benzene dihydrochloride; 2,4-Diaminophenoxyethanol dihydrochloride; 4-2-Hydroxyethoxy-1,3-Benzenediamine dihydrochlorideCOLOREX OAJIMEXINE OAJEC 266-357-1JAROCOL DPE (2HCL)
Database identifiers
- CAS
66422-95-5- PubChem CID
- 47932
- DTXSID
DTXSID3070462- UNII
- Z5Y843J6KQ
Properties
Computed structural properties
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
CosmeticsCosmetic ingredients (2,4-Diaminophenoxyethanol HCl) -> CIR (Cosmetic Ingredient Review)
Physicochemical properties
- Melting point
- 222 · 222-224℃
- Density
- 1.409 · 1.409[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 20℃
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- Pale Grey
- Water Solubility
- 425 g/L · 425g/L at 20℃
- Stability
- Air Sensitive
- Cosmetics Ingredients Functions
- HAIR DYEING
- Cosmetic Ingredient Review (CIR)
- 2 · 2-(2,4-Diaminophenoxy)ethanol dihydrochloride (66422-95-5)
- InChI
- InChI=1S/C8H12N2O2.ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;/h1-2,5,11H,3-4,9-10H2;1H
- InChIKey
- PBVFDMZFBPZIMC-UHFFFAOYSA-N
- SMILES
- O(C1C=CC(N)=CC=1N)CCO.Cl
- LogP
- -0.98 at · -0.98 at 20℃
- CAS DataBase Reference
- 66422 · 66422-95-5(CAS DataBase Reference)
- FDA UNII
- 5 Y843J6KQ · Z5Y843J6KQ
- EPA Substance Registry System
- 2 · Ethanol, 2-(2,4-diaminophenoxy)-, hydrochloride (1:2) (66422-95-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
- Hazardous Substances Data
- 66422 · 66422-95-5(Hazardous Substances Data)
- REACH Registrations
- Active
Safety & regulation
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
- Hazardous Substances Data
- 66422-95-5(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: 2,4-Diaminophenoxyethanol HCl
Applications
Description2,4-Diaminophenoxyethanol hydrochloride: a widely used intermediate.2,4-Diaminophenoxyethanol hydrochloride is used mainly as a hair dye or pharmaceutical intermediate. The compound can be condensed with ethylene glycol under alkaline conditions with 2,4-dinitrochlorobenzene as the main raw material, then hydrogenated, and finally reacted with hydrochloric acid to obtain 2,4-diaminophenoxyethanol hydrochloride.
Uses2,4-Diaminophenoxyethanol dihydrochloride is an oxidation colorant used in hair dyes[1].
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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HBCChem, Inc.+1-510-219-6317 · [email protected]
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Related reactions
1 records
Compound notes
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