CAS 91-67-8 N,N-diethyl-m-toluidine (HCID 66679)

Names & identifiers

Preferred name: N,N-diethyl-m-toluidine
IUPAC: N,N-diethyl-3-methylaniline
English name: N,N-Diethyl-m-toluidine
Molecular formula: C11H17N
Molecular weight: 163.26

Names & synonyms

N,N-Diethyl-m-toluidine91-67-8Benzenamine, N,N-diethyl-3-methyl-3-(Diethylamino)tolueneDTXSID1052610m-Methyl(diethylamino)benzeneNSC-96629E5635R949A3-Methyl-N,N-diethylbenzenamineDTXCID5031183RefChem:161173CIPVVROJHKLHJI-UHFFFAOYSA-N

Show more names

3-Methyl-N,N-diethylanilineDEMTdlethyl-toluidineN,N-Diethyl-m-toluidN,N-Diethyl-m-toluidinDiethy1 Meta ToluidineN,N-DIETHYL-3-TOLUIDINE

InChI=1/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3HN,N-Diethyl-3-methylaniline3-(Diethylamino)-1-methylbenzene3-(N,N-Diethylamino)toluene1-(Diethylamino)-3-methylbenzenem-Methyl-N,N-diethylanilineN,N-Diethyl-3-methylbenzenaminem-Toluidine, N,N-diethyl-

Database identifiers

CAS: 91-67-8
PubChem CID: 66679
DTXSID: DTXSID1052610
ChEMBL: CHEMBL3561120
UNII: E5635R949A
EC Number: 202-089-3
Nikkaji: J96.136A

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 118

Experimental & physicochemical properties

SpringerMaterials PropertiesViscosity

Physicochemical properties

Melting point: 46.25 °C · 46.25°C (estimate)
Boiling point: 97 °C · 97 °C (17 mmHg)
Density: 0.92 · 0.92
refractive index: 1.535 · 1.535-1.537
Flash point: 101 °C · 101 °C
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
pka: 6.84 · 6.84±0.30(Predicted)
color: Light orange to Yellow to Green
InChI: InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKey: CIPVVROJHKLHJI-UHFFFAOYSA-N
SMILES: C1(N(CC)CC)=CC=CC(C)=C1
CAS DataBase Reference: 91 · 91-67-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 5635 R949A · E5635R949A
NIST Chemistry Reference: -3 · Benzenamine, N,N-diethyl-3-methyl-(91-67-8)
EPA Substance Registry System: -3 · Benzenamine, N,N-diethyl-3-methyl- (91-67-8)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 6 · GHS06,GHS09,GHS07
Signal word: Danger
Hazard statements: 301 · H301-H311-H331-H411-H302+H312+H332-H315-H319
Precautionary statements: 261 · P261-P273-P280-P301+P310-P311-P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Hazard Codes: Xn,N,T
Risk Statements: 36 · 36/37/38-20/21/22-51/53-26-24/25-20
Safety Statements: 24 · 24/25-61-45-36/37-28
RIDADR: 1708 · UN 1708 6.1/PG 2
WGK Germany: 2 · WGK 2
RTECS: 9869375 · CX9869375
TSCA: TSCA listed
HS Code: 29214300 · 29214300
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (33.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 121 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Benzenamine, N,N-diethyl-3-methyl-

Status: Cease Manufacture Update: 06-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24394

Benzenamine, N,N-diethyl-3-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 CategoriesAcute Tox. 3 (33.1%)

Safety data

wgk: WGK 2
tsca: TSCA listed
rtecs: CX9869375
ridadr: UN 1708 6.1/PG 2
hs_code: 29214300
risk_code: 36/37/38-20/21/22-51/53-26-24/25-20
Signal word: Danger
Symbol(GHS): GHS06,GHS09,GHS07
hazard_code: Xn,N,T
safety_code: 24/25-61-45-36/37-28
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301-H311-H331-H411-H302+H312+H332-H315-H319
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2
Precautionary statements: P261-P273-P280-P301+P310-P311-P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, N,N-diethyl-3-methyl-: ACTIVE

Applications

UsesN,N-Diethyl-m-toluidine is used as a recognition molecule to assay biomolecules and other constituents in lateral flow, liquid and dry chemistry techniques. N,N-Diethyl-m-toluidine is also a useful synthetic intermediate.