m-(Dimethylamino)benzyl alcohol

HCID 90133

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Basic information

CAS: 23501-93-1
Standard SMILES: CN(C)c1cccc(CO)c1
InChIKey: YTUXZVSDDHCTBZ-UHFFFAOYSA-N
Molecular formula: C9H13NO
Average molar mass: 151.21 g/mol
Monoisotopic mass: 151.09971404

Names & identifiers

Preferred name: m-(Dimethylamino)benzyl alcohol
IUPAC: [3-(dimethylamino)phenyl]methanol
English name: 3-DIMETHYLAMINOBENZYL ALCOHOL
Molecular formula: C9H13NO
Molecular weight: 151.21

Names & synonyms

23501-93-1m-(Dimethylamino)benzyl alcoholEINECS 245-700-9DTXSID70178068RefChem:800329DTXCID00100559245-700-9[3-(Dimethylamino)phenyl]methanol3-Dimethylaminobenzyl alcohol(3-(Dimethylamino)phenyl)methanol3-(Dimethylamino)benzyl alcoholBenzenemethanol, 3-(dimethylamino)-

Show more names

BUTTPARK 33\04-243-(dimethylamino)benzylols3-Dimethylamino-benzyl alcohol3-(Dimethylamino)benzylalcohol97%3-(DIMETHYLAMINO)-BENZENEMETHANOLBenzeneMethanol,3-(diMethylaMino)-3-(Dimethylamino)benzyl alcohol 97%

MFCD000173423-(Dimethylaminobenzyl)alcohol[3-(dimethylamino)phenyl]methan-1-olm-dimethylaminobenzyl alcoholBenzyl alcohol, m-(dimethylamino)-3-DimethylaminobenzylalcoholDZ838DW2GMSCHEMBL27332

Database identifiers

CAS: 23501-93-1
PubChem CID: 90133
DTXSID: DTXSID70178068
UNII: DZ838DW2GM
EC Number: 245-700-9
Nikkaji: J133.618E

Properties

Computed structural properties

XLogP: 1.5
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: 114

Physicochemical properties

Boiling point: 282 · 282-283 °C (lit.)
Density: 1.056 g/mL · 1.056 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.577(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C, protect from light
form: Liquid
pka: 14.49 · 14.49±0.10(Predicted)
color: Clear colorless to yellow
InChI: 1S/C9H13NO/c1-10(2)9-5-3-4-8(6-9)7-11/h3-6,11H,7H2,1-2H3
InChIKey: YTUXZVSDDHCTBZ-UHFFFAOYSA-N
SMILES: CN(C)c1cccc(CO)c1
CAS DataBase Reference: 23501 · 23501-93-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2922190090 · 2922190090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 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 CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 2922190090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses3-(Dimethylamino)benzyl alcohol may be used in the preparation of (3-hydroxymethylphenyl)trimethylammonium iodide by reacting with methyl iodide.