4-((Dimethylamino)methyl)phenol

HCID 32895

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Basic information

CAS: 103-87-7
Standard SMILES: CN(C)Cc1ccc(O)cc1
InChIKey: NFVPEIKDMMISQO-UHFFFAOYSA-N
Molecular formula: C9H13NO
Average molar mass: 151.21 g/mol
Monoisotopic mass: 151.09971404

Names & identifiers

Preferred name: 4-((Dimethylamino)methyl)phenol
IUPAC: 4-[(dimethylamino)methyl]phenol
English name: alpha-dimethylamino-p-cresol
Molecular formula: C9H13NO
Molecular weight: 151.21

Names & synonyms

4-[(dimethylamino)methyl]phenol103-87-74-((Dimethylamino)methyl)phenolUNII-XA8M8AIM6TXA8M8AIM6TPhenol, 4-((dimethylamino)methyl)-Phenol, 4-[(dimethylamino)methyl]-EINECS 203-153-3DTXSID9041495P-((DIMETHYLAMINO)METHYL)PHENOL.ALPHA.-(DIMETHYLAMINO)-P-CRESOL4-HYDROXYBENZYL-N,N-DIMETHYLAMINE

Show more names

4-(Dimethylaminomethyl)-phenol

P-CRESOL, .ALPHA.-(DIMETHYLAMINO)-RefChem:96884DTXCID7021495ALPHA-(DIMETHYLAMINO)-P-CRESOLP-CRESOL, ALPHA-(DIMETHYLAMINO)-203-153-325338-55-0alpha-Dimethylamino-p-cresol

Database identifiers

CAS: 103-87-7、25338-55-0
PubChem CID: 32895
DTXSID: DTXSID9041495
UNII: XA8M8AIM6T
EC Number: 203-153-3、246-866-5
Nikkaji: J141.522K

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 106

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

Physical DescriptionLiquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 112 °C · 112 °C
Boiling point: 105 · 105-106 °C(Press: 18 Torr)
Density: 1.046 · 1.046±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 8.97 · 8.97±0.26(Predicted)
Appearance: Light brown to brown Solid
FDA UNII: 8 M8AIM6T · XA8M8AIM6T
EPA Substance Registry System: 4 · 4-((Dimethylamino)methyl)phenol (103-87-7)
TSCA: TSCA listed
HS Code: 2922290090 · 2922290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (30.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 218 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 5 items

Chemical: Phenol, 4-[(dimethylamino)methyl]-

Chemical: Phenol, [(dimethylamino)methyl]-

Phenol, [(dimethylamino)methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, [(dimethylamino)methyl]- 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: 28-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/28405

Phenol, (dimethylamino)methyl-: Does not have an individual approval but may be used under an appropriate group standard

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

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion, inhalation, and skin absorption; Targets the liver and kidney; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (30.3%)