7-Hydroxy-4-methyl-1-indanone

HCID 12436244

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Basic information

CAS: 67901-82-0
Standard SMILES: Cc1ccc(O)c2c1CCC2=O
InChIKey: FXEWVKMVYBQMET-UHFFFAOYSA-N
Molecular formula: C10H10O2
Average molar mass: 162.18 g/mol
Monoisotopic mass: 162.06807956

Names & identifiers

Preferred name: 7-Hydroxy-4-methyl-1-indanone
IUPAC: 7-hydroxy-4-methyl-2,3-dihydroinden-1-one
English name: 7-HYDROXY-4-METHYL-1-INDANONE 97
Molecular formula: C10H10O2
Molecular weight: 162.19

Names & synonyms

7-Hydroxy-4-methyl-1-indanoneRefChem:546566623-153-067901-82-07-Hydroxy-4-methyl-2,3-dihydro-1H-inden-1-one7-HYDROXY-4-METHYL-2,3-DIHYDROINDEN-1-ONEMFCD073697194-METHYL-7-HYDROXY-1-INDANONE7-Hydroxy-4-methylindanoneSCHEMBL9579265DTXSID60498202CS-W014322

Show more names

1111657-Hydroxy-4-methylindan-1-one4-Methyl-7-hydroxyindan-1-one7-Hydroxy-5-methyl-indan-1-one7-HYDROXY-4-METHYL-1-INDANONE 976-Hydroxy-2,3-dimethyl-benzaldehyde

7-Hydroxy-4-methyl-1-indanone, 97%AC-23410F19150AM1136FT-07323602,3-dihydro-7-hydroxy-4-methyl-1H-Inden-1-one7-hydroxy-4-methyl-indan-1-oneAKOS015842464

Database identifiers

CAS: 67901-82-0
PubChem CID: 12436244
DTXSID: DTXSID60498202
EC Number: 623-153-0

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 200

Physicochemical properties

Melting point: 109 · 109-112 °C (lit.)
Boiling point: 339.3 · 339.3±41.0 °C(Predicted)
Density: 1.25 · 1.250±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: solid
pka: 10.59 · 10.59±0.20(Predicted)
Appearance: Off-white to light yellow Solid
InChI: 1S/C10H10O2/c1-6-2-4-8(11)10-7(6)3-5-9(10)12/h2,4,11H,3,5H2,1H3
InChIKey: FXEWVKMVYBQMET-UHFFFAOYSA-N
SMILES: Cc1ccc(O)c2C(=O)CCc12
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26
WGK Germany: 2 · 2
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.