CAS 119-94-8 N-Benzyl-N-ethyl-m-toluidine (HCID 67076)

Names & identifiers

Preferred name: N-Benzyl-N-ethyl-m-toluidine
IUPAC: N-benzyl-N-ethyl-3-methylaniline
English name: Ethylbenzyltoluidine
Molecular formula: C16H19N
Molecular weight: 225.33

Names & synonyms

N-Benzyl-N-ethyl-m-toluidine119-94-8N-Benzyl-N-ethyl-3-methylanilineN-Ethyl-N-benzyl-m-toluidineBenzenemethanamine, N-ethyl-N-(3-methylphenyl)-m-Toluidine, N-benzyl-N-ethyl-3-(N-Benzyl-N-ethylamino)toluene3-(N-Benzyl-N-ethylamino)methylbenzeneN-Ethyl-N-benzyl-meta-toluidinen-ethyl-n-(m-tolyl)benzylamineLK3LC8CT3LN-Benzyl-N-ethyl-meta-toluidine

Show more names

ethylbenzyltoluidineEthylbenzyl-m-toluidineN-Ethyl-N-benzyl-m-toluidinN-BENZYL-N-ETHYL-3-TOLUIDINEEthylbenzyltoluidine 119-94-8

NSC 8089NSC-8089EINECS 204-359-6UNII-LK3LC8CT3LDTXSID3059501N-ETHYL-N-(3-METHYLPHENYL)BENZENEMETHANAMINERefChem:162951DTXCID4033479

Database identifiers

CAS: 119-94-8
PubChem CID: 67076
DTXSID: DTXSID3059501
UNII: LK3LC8CT3L
EC Number: 204-359-6
Nikkaji: J29.592B

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 208

Experimental & physicochemical properties

Kovats Retention Index1800

Physicochemical properties

Boiling point: 161 · 161-162 °C(lit.)
Density: 0.77 g/mL · 0.770 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5870(lit.)
Flash point: 171 °F · 171 °F
storage temp.: 2 · 2-8°C
form: Liquid
pka: 5.4 · 5.40±0.50(Predicted)
InChI: InChI=1S/C16H19N/c1-3-17(13-15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3
InChIKey: VIACAIAQHPLINF-UHFFFAOYSA-N
SMILES: C1(CN(CC)C2=CC=CC(C)=C2)=CC=CC=C1
CAS DataBase Reference: 119 · 119-94-8(CAS DataBase Reference)
FDA UNII: 3 LC8CT3L · LK3LC8CT3L
NIST Chemistry Reference: Benzenemethanamine, n-ethyl-n-(3-methylphenyl)-(119-94-8)
EPA Substance Registry System: N-Benzyl-N-ethyl-m-toluidine (119-94-8)
Symbol(GHS): 6 · GHS06
Signal word: Warning
Hazard statements: 227 · H227-H301-H311-H331
Precautionary statements: 210 e-P261-P280-P301+P310a-P405-P501a · P210e-P261-P280-P301+P310a-P405-P501a
Hazard Codes: T
Risk Statements: 23 · 23/24/25
Safety Statements: 23 · 23-26-36/37/39-45
RIDADR: 2753 · UN 2753 6.1/PG III (N-ETHYLBENZYLTOLUIDINES, LIQUID)
WGK Germany: 2 · 2
TSCA: TSCA listed
HazardClass: 6.1 · 6.1

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenemethanamine, N-ethyl-N-(3-methylphenyl)-

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)

Regulatory information

Regulatory Information · 2 items

Chemical: Benzenemethanamine, N-ethyl-N-(3-methylphenyl)-

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Safety data

wgk: 2
tsca: TSCA listed
ridadr: UN 3460 6.1/PG III (N-ETHYLBENZYLTOLUIDINES, SOLID)
risk_code: 23/24/25
Signal word: Warning
Symbol(GHS): GHS06
hazard_code: T
safety_code: 23-26-36/37/39-45
hazard_class: 6.1
Hazard statements: H227-H301-H311-H331
Precautionary statements: P210e-P261-P280-P301+P310a-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanamine, N-ethyl-N-(3-methylphenyl)-: INACTIVE

Applications

DescriptionEthylbenzyltoluidine is a yellowish to lightbrown liquid with an unpleasant odor. Boilingpoint = 230℃; Flash point = 167℃. Insoluble in water.

UsesEthylbenzyltoluidine can be used as an intermediate for acid blue 90, 91, 109 and other dyes.

Upstream & downstream products

Downstream products

Acid Blue 90 Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl][4-(phenylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:1)Acid Blue 90 N-Ethyl-N-[4-[[4-[N-ethyl-N-(3-sodiosulfobenzyl)amino]-2-methylphenyl][4-[[2-(phenylamino)phenyl]amino]phenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-3-sulfonatobenzenemethanaminium Benzenemethanaminium,N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl][4-(phenylamino)phenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-3-sulfo-,inner salt, sodium salt (1:1)

Suppliers100 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

1 records

New reaction record

HRID 1599203As reactantuspto-grants-1998_04

Compound notes

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Basic information