Basic information
- CAS
24544-08-9- Standard SMILES
CCc1cc(C)cc(CC)c1N- InChIKey
OIXUMNZGNCAOKY-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609954
Names & identifiers
- Preferred name
- 2,6-Diethyl-p-toluidine
- IUPAC
- 2,6-diethyl-4-methylaniline
- English name
- 2,6-Diethyl-4-methylaniline
- Molecular formula
- C11H17N
- Molecular weight
- 163.26
Names & synonyms
2,6-Diethyl-p-toluidineDJ07IWP71EEINECS 246-307-5EC 246-307-5NSC 203033NSC-203033DIETHYL-4-METHYLBENZENAMINE, 2,6-RefChem:445500246-307-52,6-Diethyl-4-methylaniline24544-08-9Benzenamine, 2,6-diethyl-4-methyl-
Show more names
DEMA2,6-Diethyl-p-toluidine (NH2=1)2,6-diethyl-4-methylbenzenamine2,6-Diethyl-4-methylaniline,98%2,6-diethyl-4-methylbenzeneamineBenzenamine,2,6-diethyl-4-methyl-(2,6-diethyl-4-methyl-phenyl)amine
MFCD00035950AKOS006345689EN300-182291F11224Q27276417UNII-DJ07IWP71ENSC2030332,6-diethyl-4-methylanilin
Database identifiers
- CAS
24544-08-9- PubChem CID
- 90536
- DTXSID
DTXSID8041375- UNII
- DJ07IWP71E
- EC Number
- 246-307-5
- Nikkaji
- J286.342A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 113 · 113-115 °C(Press: 4.5 Torr)
- Density
- 0.94 · 0.940±0.06 g/cm3(Predicted)
- vapor pressure
- 9 Pa · 9Pa at 25℃
- refractive index
- 1.54 · 1.54
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 4.56 · 4.56±0.10(Predicted)
- form
- clear liquid
- color
- Light yellow to Yellow to Orange
- Water Solubility
- 570 mg/L · 570mg/L at 20℃
- InChI
- InChI=1S/C11H17N/c1-4-9-6-8(3)7-10(5-2)11(9)12/h6-7H,4-5,12H2,1-3H3
- InChIKey
- OIXUMNZGNCAOKY-UHFFFAOYSA-N
- SMILES
- C1(N)=C(CC)C=C(C)C=C1CC
- LogP
- 2.294 at · 2.294 at 25℃
- CAS DataBase Reference
- 24544 · 24544-08-9(CAS DataBase Reference)
- FDA UNII
- 7 IWP71E · DJ07IWP71E
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
This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.
Warning
H302+H312 (60.9%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 19-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10873
Hazard Classes and CategoriesAcute Tox. 4 (95.7%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2921490090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 2,6-diethyl-4-methyl-: ACTIVE
Applications
Uses2,6-Diethyl-4-methylaniline (DEMA) is used as intermediate for chemical synthesis. WWW Link
Upstream & downstream products
Downstream products
Suppliers100 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Related reactions
11 records
Compound notes
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