CAS 16115-08-5 4,6-Dimethylpyridin-2-ol (HCID 226288)

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Basic information

CAS: 16115-08-5
Standard SMILES: Cc1cc(C)[nH]c(=O)c1
InChIKey: FSPIBFKGESGOLU-UHFFFAOYSA-N
Molecular formula: C7H9NO
Average molar mass: 123.15 g/mol
Monoisotopic mass: 123.06841391

Names & identifiers

Preferred name: 4,6-Dimethylpyridin-2-ol
IUPAC: 4,6-dimethyl-1H-pyridin-2-one
English name: 4,6-Dimethyl-2-hydroxypyridine
Molecular formula: C7H9NO
Molecular weight: 123.15

Names & synonyms

4,6-dimethylpyridin-2-ol16115-08-54,6-Dimethyl-2-hydroxypyridine4,6-dimethyl-1H-pyridin-2-one4,6-dimethylpyridin-2(1H)-one2(1H)-pyridinone, 4,6-dimethyl-MFCD008315284,6-dimethyl-1,2-dihydropyridin-2-one4,6-Dimethyl-2-pyridone2,4-DIMETHYL-6-HYDROXYPYRIDINE2-hydroxy-4,6-dimethylpyridine4,6-dimethyl-2(1H)-pyridinone

Show more names

4,6-DIMETHYL-2-PYRIDINONE4,6-Dimethyl-2-pyridone ,98%4,6-Dimethul-2(1H)-pyridinone

NSC166134,6 dimethyl pyridinol4,6-dimethyl pyridinol46-Dimethylpyridin-2-ol4,6-dimethyl-pyridin-2-olSCHEMBL354917SCHEMBL9421724,6-dimethyl2(1H)-pyridone

Database identifiers

CAS: 16115-08-5
PubChem CID: 226288
DTXSID: DTXSID70280372
Nikkaji: J540.271I

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 201

Physicochemical properties

Melting point: 172 · 172-173 °C
Boiling point: 300.5 · 300.5±15.0 °C(Predicted)
Density: 1.013 · 1.013±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 12.15 · 12.15±0.10(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 16115 · 16115-08-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi
RIDADR: 2811 · 2811
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ

Safety & regulation

Safety data

ridadr: 2811
hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
hazard_class: 6.1
packing_group: Ⅲ
Hazard statements: H302-H315-H320-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers52 total

上海康恩博医药科技有限公司17510465506 · [email protected]

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

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Aladdin Scientific[email protected]

Related reactions

2 records

New reaction record

HRID 180197As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1076827As reactantuspto-grants-1976_05

Compound notes

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