Basic information
- CAS
91-99-6- Standard SMILES
Cc1cccc(N(CCO)CCO)c1- InChIKey
VMNDRLYLEVCGAG-UHFFFAOYSA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
- Monoisotopic mass
- 195.12592879
Names & identifiers
- Preferred name
- 2,2'-((3-Methylphenyl)imino)bisethanol
- IUPAC
- 2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
- English name
- m-Tolyldiethanolamine
- Molecular formula
- C11H17NO2
- Molecular weight
- 195.26
Names & synonyms
Show more names
Database identifiers
- CAS
91-99-6- PubChem CID
- 7073
- DTXSID
DTXSID5059036- UNII
- SA9I4143NS
- EC Number
- 202-114-8
- Nikkaji
- J53.968F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 70 °C · 70°C
- Boiling point
- 331.93 °C · 331.93°C (rough estimate)
- Density
- 1.0654 · 1.0654 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.533 · 1.5330 (estimate)
- Flash point
- 193 ° · 193°
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 14.3 · 14.30±0.10(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- Water Solubility
- 9.33 g/L · 9.33g/L at 20℃
- InChIKey
- VMNDRLYLEVCGAG-UHFFFAOYSA-N
- LogP
- 1.9 at · 1.9 at 20℃
- CAS DataBase Reference
- 91 · 91-99-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 I4143NS · SA9I4143NS
- NIST Chemistry Reference
- N-(m-tolyl)-diethanolamine(91-99-6)
- EPA Substance Registry System
- 2 · Ethanol, 2,2'-[(3-methylphenyl)imino]bis- (91-99-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RTECS
- 3360000 · KM3360000
- TSCA
- TSCA listed
- HS Code
- 2922190090 · 2922190090
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 11% (31 of 281) of reports.
Danger
H301 (31.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (56.2%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (31.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (56.9%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (56.2%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (56.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (32%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H373 (56.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 281 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 31 of 281 reports by companies.;There are 9 notifications provided by 250 of 281 reports by companies with hazard statement code(s).;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
Chemical: Ethanol, 2,2'-[(3-methylphenyl)imino]bis-
Ethanol, 2,2'-[(3-methylphenyl)imino]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-[(3-methylphenyl)imino]bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 25-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27168
Ethanol, 2,2'-[(3-methylphenyl)imino]bis-: 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.
Regulatory information
Regulatory Information
Chemical: Ethanol, 2,2'-[(3-methylphenyl)imino]bis-
Ethanol, 2,2'-[(3-methylphenyl)imino]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-[(3-methylphenyl)imino]bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 25-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27168
Ethanol, 2,2'-[(3-methylphenyl)imino]bis-: 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.
Safety data
- tsca
- TSCA listed
- rtecs
- KM3360000
- hs_code
- 2922190090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing;Plastics Material and Resin Manufacturing
Ethanol, 2,2'-[(3-methylphenyl)imino]bis-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers100 total
Related reactions
Compound notes
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