Basic information
- Standard SMILES
Nc1cccc(N)c1.O=S(=O)(O)O- InChIKey
LDXYDHGRKFMULJ-UHFFFAOYSA-N- Molecular formula
- C6H8N2.H2O4S
- Average molar mass
- 206.22 g/mol
- Monoisotopic mass
- 206.0361278
Overview
On the basis of the animal and clinical data included in this report, the CIR Expert Panel concludes that m-Phenylenediamine and m-Phenylenediamine Sulfate are safe for use in hair dyes at concentrations of up to 10%.
Names & identifiers
- Preferred name
- 1,3-Benzenediamine, sulfate (1:1)
- IUPAC
- benzene-1,3-diamine;sulfuric acid
- English name
- 1,3-Phenylenediamine sulfate
- Molecular formula
- C6H10N2O4S
- Molecular weight
- 206.22
Names & synonyms
Show more names
Database identifiers
- CAS
541-70-8- PubChem CID
- 10942
- DTXSID
DTXSID7060251- UNII
- O7CFS23KOR
- EC Number
- 208-791-6
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
Physicochemical properties
- Water Solubility
- Soluble in water
- form
- powder to crystal
- color
- White to Light yellow to Purple
- Cosmetics Ingredients Functions
- HAIR DYEING
- Cosmetic Ingredient Review (CIR)
- 1 · 1,3-Phenylenediamine sulfate (541-70-8)
- CAS DataBase Reference
- 541 · 541-70-8(CAS DataBase Reference)
- EWG's Food Scores
- 3 · 3-6
- FDA UNII
- 7 CFS23KOR · O7CFS23KOR
- EPA Substance Registry System
- 1 · 1,3-Benzenediamine, sulfate (1:1) (541-70-8)
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H315-H319-H361-H371-H372-H373-H317-H341-H410
- Precautionary statements
- 501 · P501-P273-P272-P260-P270-P202-P201-P271-P264-P280-P391-P337+P313-P305+P351+P338-P308+P311-P361+P364-P333+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
- RIDADR
- 2811 · 2811
- TSCA
- TSCA listed
- HS Code
- 2921.51 · 2921.51.5000
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- Hazardous Substances Data
- 541 · 541-70-8(Hazardous Substances Data)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (87.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
Hazard information
Regulatory Information
Chemical: 1,3-Benzenediamine, sulfate (1:1)
1,3-Benzenediamine, sulfate (1:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
Can potentially induce methemoglobinemia; Emergency treatment: Paraphenylenediamine; In sensitized individuals, paraphenylenediamine may cause allergic contact dermatitis following application as a hair dye and asthma following inhalation; Following ingestion, can cause angioneurotic edema, methemoglobinemia, acute tubular necrosis, and hepatotoxicity; An adult died after ingestion of 3 grams of p-phenylenediamine; Another adult who ingested 1800 mg developed angioneurotic edema and acute renal failure; [HSDB] See m-Phenylenediamine.
Special Reports
USEPA; Phenylenediamines; response to interagency testing committee; Fed Regist 47 (5): 973-83 (1982). Evidence is given supporting testing of the class of cmpd phenylenediamines for their toxic effects on human health and the environment. The results of toxicity testing of 22 cmpd are tabulated as are the effects for which testing is being considered for 13 cmpd, and the uses or potential uses of 47 phenylenediamines. The human exposure potential and environmental release are also to be considered.
Milman HA, Peterson C; Apparent correlation between structure and carcinogenicity of phenylenediamines and related compounds; Environmental Health Perspectives 56: 261-73 (1984). The carcinogenicity of 23 phenylenediamines and related compounds was reviewed.
Hazard Classes and Categories
Acute Tox. 3 (87.5%)
Acute toxicity (ingestion) - category 3
Safety & protection
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Toxicology
Toxicity Summary
On the basis of the animal and clinical data included in this report, the CIR Expert Panel concludes that m-Phenylenediamine and m-Phenylenediamine Sulfate are safe for use in hair dyes at concentrations of up to 10%.
Safe for use in cosmetics, with qualifications
Antidote and Emergency Treatment
For immediate first aid: Ensure that adequate decontamination has been carried out. If victim is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep victim quiet and maintain normal body temperature. Obtain medical attention. /Organic bases, amines, and related compounds/
For basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... Monitor for shock and treat if necessary ... Anticipate seizures and treat if necessary ... For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... Cover skin burns with sterile dressings after decontamination ... . /Organic bases, amines, and related compounds/
Regulatory information
Safety data
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 2921.51.5000
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301+H311+H331-H315-H319-H361-H371-H372-H373-H317-H341-H410
- Precautionary statements
- P501-P273-P272-P260-P270-P202-P201-P271-P264-P280-P391-P337+P313-P305+P351+P338-P308+P311-P361+P364-P333+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
- Hazardous Substances Data
- 541-70-8(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Uses
CIR ingredient: m-Phenylenediamine Sulfate
Not commercially produced; [HSDB]
General Manufacturing Information
1,3-Benzenediamine, sulfate (1:1): ACTIVE
Not produced commercially.
Suppliers50 total
Related reactions
No reaction records under the current filter.
Linked notes
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