2,4,6-Trimethylbenzylamine

HCID 458433

Notes Reactions

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Basic information

CAS: 40393-99-5
Standard SMILES: Cc1cc(C)c(CN)c(C)c1
InChIKey: DGSRAILDFBJNQI-UHFFFAOYSA-N
Molecular formula: C10H15N
Average molar mass: 149.23 g/mol
Monoisotopic mass: 149.12044948

Names & identifiers

Preferred name: 2,4,6-Trimethylbenzylamine
IUPAC: (2,4,6-trimethylphenyl)methanamine
English name: 2,4,6-Trimethylbenzylamine
Molecular formula: C10H15N
Molecular weight: 149.23

Names & synonyms

40393-99-52,4,6-TrimethylbenzylamineDTXSID40332514RefChem:245837DTXCID30283607807-283-7mesitylmethanamine1-mesitylmethanamine(2,4,6-trimethylphenyl)methanamineMFCD034110131-(2,4,6-trimethylphenyl)methanamine1-(Mesityl)methanamine

Show more names

RARECHEM AL BW 03512,4,6-Trimethylbenzy1-MESITYLMETHYLAMINE1-MesitylMethanaMine, 97%+2,4,6-Trimethylbenzylamine,99%2,4,6-Trimethylbenzylamine 97%2,4,6-TriMethylbenzylaMine, 99% 1GR

2,4,6-TrimethylbenzenemethanamineBBL036407(2,4,6-trimethyl-phenyl)-methyl-amine2,4,6-trimethylbenzylamine hydrochlorideCS-0072358EN300-33151D71086Z239626566

Database identifiers

CAS: 40393-99-5
PubChem CID: 458433
DTXSID: DTXSID40332514
EC Number: 807-283-7
Nikkaji: J1.041.553E

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 196 · 196-197 °C
Boiling point: 98.5 · 98.5-100 °C(Press: 6 Torr)
Density: 0.943 · 0.943±0.06 g/cm3(Predicted)
refractive index: 1.536 · 1.536-1.538
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Liquid
pka: 9.58 · 9.58±0.10(Predicted)
color: Clear yellow
InChI: 1S/C10H15N/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6,11H2,1-3H3
InChIKey: DGSRAILDFBJNQI-UHFFFAOYSA-N
SMILES: NCC1=C(C)C=C(C)C=C1C
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
target organs: Respiratory system
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 45 · 45-36/37/39-26
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 29214900 · 29214900
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (25%)

Safety data

wgk: WGK 3
hs_code: 29214900
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 45-36/37/39-26
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
target organs: Respiratory system
Hazard statements: H314
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501