2,6-Diamino-3,5-diethyltoluene
Basic information
- CAS
2095-01-4- Standard SMILES
CCc1cc(CC)c(N)c(C)c1N- InChIKey
RQEOBXYYEPMCPJ-UHFFFAOYSA-N- Molecular formula
- C11H18N2
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.14699858
Overview
a curing agent; structure in first source
Names & identifiers
- Preferred name
- 2,6-Diamino-3,5-diethyltoluene
- IUPAC
- 4,6-diethyl-2-methylbenzene-1,3-diamine
- English name
- 2,6-diamino-3,5-diethyltoluene
- Molecular formula
- C11H18N2
- Molecular weight
- 178.27
Names & synonyms
2,6-Diamino-3,5-diethyltolueneDIETHYLTOLUENE DIAMINEDETDA compoundRefChem:5080544,6-diethyl-2-methylbenzene-1,3-diamine2095-01-41,3-Benzenediamine, 4,6-diethyl-2-methyl-3,5-DIETHYLTOLUENE-2,6-DIAMINE4,6-diethyl-2-methyl-1,3-benzenediamine0T17THG562Toluene-2,6-diamine, 3,5-diethyl-1-methyl-3,5-diethyl-2,6-diaminobenzene
Show more names
4,6-diethyl-2-methyl-3-benzenediamine1,5-Diethyl-2,4-diamino-3-methylbenzene1,3-Diamino-2-methyl-4,6-diethylbenzene2-Methyl-4,6-diethyl-1,3-phenylenediamine2-methyl-4,6-diethylphenylene-1,3-diamine
EINECS 218-255-3SCHEMBL43312UNII-0T17THG562DTXSID4029228SCHEMBL10944889SCHEMBL281632943,5-diethyl-2,6-toluene diamineDiethyl(methyl)-1,3-benzenediamine
Database identifiers
- CAS
2095-01-4- PubChem CID
- 74979
- DTXSID
DTXSID4029228- UNII
- 0T17THG562
- EC Number
- 218-255-3
- Nikkaji
- J39.376B
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
- 142
Physicochemical properties
- Melting point
- 58 °C · 58 °C
- Boiling point
- 152 · 152-155 °C(Press: 5 Torr)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- pka
- 4.99 · 4.99±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
- 0 T17THG562 · 0T17THG562
- EPA Substance Registry System
- 3 · 3,5-Diethyltoluene-2,6-diamine (2095-01-4)
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H410-H302-H312-H373
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P260-P314-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, 4,6-diethyl-2-methyl-
1,3-Benzenediamine, 4,6-diethyl-2-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-H302-H312-H373
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P260-P314-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenediamine, 4,6-diethyl-2-methyl-: ACTIVE
Suppliers
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Related reactions
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Compound notes
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