1,3-Diamino-2,4-diethyl-6-methylbenzene
Basic information
- CAS
2095-02-5- Standard SMILES
CCc1cc(C)c(N)c(CC)c1N- InChIKey
PISLZQACAJMAIO-UHFFFAOYSA-N- Molecular formula
- C11H18N2
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.14699858
Names & identifiers
- Preferred name
- 1,3-Diamino-2,4-diethyl-6-methylbenzene
- IUPAC
- 2,4-diethyl-6-methylbenzene-1,3-diamine
- English name
- 2,4-diamino-3,5-diethyltoluene
- Molecular formula
- C11H18N2
- Molecular weight
- 178.27
Names & synonyms
2095-02-51,3-Benzenediamine, 2,4-diethyl-6-methyl-2,4-Diamino-3,5-diethyltoluene3,5-DIETHYLTOLUENE-2,4-DIAMINE1,3-diamino-2,4-diethyl-6-methylbenzeneEINECS 218-256-9Toluene-2,4-diamine, 3,5-diethyl-P34Q686WFH1-methyl-3,5-diethyl-2,4-diaminobenzeneRefChem:414223218-256-92,4-diethyl-6-methylbenzene-1,3-diamine
Show more names
2,4-diethyl-6-methyl-3-benzenediamine4-Methyl-2,6-diethyl-1,3-benzenediamine2,6-Diethyl-4-methylbenzene-1,3-diamine2,4-Diamino-1,3-diethyl-5-methylbenzene6-Methyl-2,4-diethylphenylene-1,3-diamine2,4-Diethyl-6-methyl-1,3-phenylenediamine
MFCD00036113Diethyltoluenediamine [3,5-Diethyltoluene-2,4-diamine ~80%; 3,5-Diethyltoluene-2,6-diamine ~20%]1,3-Benzenediamine,2,4(or 4,6)-diethyl-6(or 2)-methyl-2,4-diethyl-6-methyl-1,3-benzenediamine2,4-diethyl-6-methyl-benzene-1,3-diamineUNII-P34Q686WFHSCHEMBL42756SCHEMBL9472223
Database identifiers
- CAS
2095-02-5- PubChem CID
- 74980
- DTXSID
DTXSID9029229- UNII
- P34Q686WFH
- EC Number
- 218-256-9
- Nikkaji
- J39.375D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 150 · 150-155 °C(Press: 5 Torr)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- pka
- 4.69 · 4.69±0.10(Predicted)
- Henry's Law Constant
- 6.2 · 6.2×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EWG's Food Scores
- 1 · 1-2
- FDA UNII
- 34 Q686WFH · P34Q686WFH
- EPA Substance Registry System
- 3 · 3,5-Diethyltoluene-2,4-diamine (2095-02-5)
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H410-H373-H302-H312
- Precautionary statements
- 260 · P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P273-P391-P501-P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H302+H312 (90.4%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 1,3-Benzenediamine, 2,4-diethyl-6-methyl-
1,3-Benzenediamine, 2,4-diethyl-6-methyl-: 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.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07,GHS09
- Hazard statements
- H319-H410-H373-H302-H312
- Precautionary statements
- P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P273-P391-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenediamine, 2,4-diethyl-6-methyl-: ACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
4 records
Compound notes
Loading…