Basic information
- CAS
95-86-3- Standard SMILES
Nc1ccc(O)c(N)c1- InChIKey
XIWMTQIUUWJNRP-UHFFFAOYSA-N- Molecular formula
- C6H8N2O
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.06366288
Overview
On the basis of the data included in this report, the CIR Expert Panel concludes that 2,4-Diaminophenol and 2,4-Diaminophenol Dihydrochloride are safe for use in hair dyes at concentrations up to 0.2% (as the free base). 2009 RE-REVIEW - The Expert Panel noted that 2,4-Diaminophenol Dihydrochloride is now termed 2,4-Diaminophenol Hydrochloride.
Names & identifiers
- Preferred name
- 2,4-Diaminophenol
- IUPAC
- 2,4-diaminophenol
- English name
- 2,4-diaminophenol
- Molecular formula
- C6H8N2O
- Molecular weight
- 124.14
Names & synonyms
2,4-DIAMINOPHENOL95-86-3Phenol, 2,4-diamino-H691WBT7OSDTXSID7043748NSC-5727RefChem:82279DTXCID5023748202-459-4MFCD00025290NSC5727NSC 5727
Show more names
AIDS-025968DIAMINOPHENOL
EINECS 202-459-4UNII-H691WBT7OSBRN 050847524-diaminophenol3-amino-4-hydroxyanilineSCHEMBL27284aniline, 3-amino-4-hydroxy-SCHEMBL1864811
Database identifiers
- CAS
95-86-3- PubChem CID
- 7266
- DTXSID
DTXSID7043748- ChEMBL
CHEMBL2924225- UNII
- H691WBT7OS
- EC Number
- 202-459-4
- Nikkaji
- J53.750K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (2,4-Diaminophenol) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
Physicochemical properties
- Melting point
- 79 °C · 79°C (rough estimate)
- Boiling point
- 230.92 °C · 230.92°C (rough estimate)
- Density
- 1.1683 · 1.1683 (rough estimate)
- refractive index
- 1.5745 · 1.5745 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 10.02 · 10.02±0.18(Predicted)
- Cosmetics Ingredients Functions
- HAIR DYEING
- LogP
- -1.29 · -1.290 (est)
- FDA UNII
- 691 WBT7OS · H691WBT7OS
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Toxicity Summary
On the basis of the data included in this report, the CIR Expert Panel concludes that 2,4-Diaminophenol and 2,4-Diaminophenol Dihydrochloride are safe for use in hair dyes at concentrations up to 0.2% (as the free base). 2009 RE-REVIEW - The Expert Panel noted that 2,4-Diaminophenol Dihydrochloride is now termed 2,4-Diaminophenol Hydrochloride.
Safe for use in cosmetics, with qualifications
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: 2,4-Diaminophenol
Use ClassificationCosmetics -> Hair dyeing
Applications
UsesUsed in dye manufacture, in hair and fur dyeing, and in tests for formaldehyde and ammonia.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers30 total
无锡市凯立生物科技有限公司0510-80721533 13327925606 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Henan Bao Enluo International TradeCo.，LTD+86-17331933971 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
沈阳莫德医药科技有限公司024-23982345 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
徐州博康化学科技股份有限公司051686297676 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
5 records
Compound notes
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