1-Indanone
Completing data — refresh the page later to see the latest
Basic information
- CAS
30286-23-8- Standard SMILES
O=C1CCc2ccccc21- InChIKey
QNXSIUBBGPHDDE-UHFFFAOYSA-N- Molecular formula
- C9H8O
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.05751488
Overview
Indan-1-one is an indanone that consists of 2,3-dihydro-1H-indene substituted by an oxo group at position 1.
Names & identifiers
- Preferred name
- 1-Indanone
- IUPAC
- 2,3-dihydroinden-1-one
- English name
- 1-Indanone
- Molecular formula
- C9H8O
- Molecular weight
- 132.16
Names & synonyms
1-Indanone83-33-02,3-Dihydro-1H-inden-1-oneIndan-1-oneINDANONEalpha-Hydrindone1-Indonealpha-Indanone1H-Inden-1-one, 2,3-dihydro-.alpha.-IndanoneHydrindone.alpha.-Hydrindone
Show more names
IDOINDO2,3-Dihydro-1-indanoneIndone1-INDENONE
Indanone (VAN)2,3-Dihydro-1-indenoneDTXSID1058892NSC 2581NSC-2581EINECS 201-470-11H-INDAN-1-ONEV7021Y717I
Database identifiers
- CAS
30286-23-8、83-33-0- PubChem CID
- 6735
- DTXSID
DTXSID1058892- ChEBI
CHEBI:17404- UNII
- V7021Y717I
- EC Number
- 201-470-1
- Nikkaji
- J4.629I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials PropertiesChemical shift
Physical Description
Off-white crystalline solid; [Alfa Aesar MSDS]
Solid
Physicochemical properties
- Melting point
- 38 · 38-40 °C(lit.)
- Boiling point
- 243 · 243-245 °C(lit.)
- Density
- 1.103 g/mL · 1.103 g/mL at 25 °C(lit.)
- refractive index
- 1.561 · 1.5610 (estimate)
- Flash point
- 233 °F · 233 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 6.5 g/l · 6.5g/l
- form
- Crystalline Mass
- color
- Light yellow to brown
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 18.2% (4 of 22) of reports.
Warning
H302 (72.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 22 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1H-Inden-1-one, 2,3-dihydro-
Status: Active Update: 03-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24544
1H-Inden-1-one, 2,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; Toxic by ingestion; [Alfa Aesar MSDS] See 1-Tetralone.
Hazard Classes and CategoriesAcute Tox. 4 (72.7%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29143900
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25-36-26
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Inden-1-one, 2,3-dihydro-: ACTIVE
Applications
Description1-Indanone is an important skeletal structure with a wide range of biological activities. Extensive research has demonstrated that 1-indanone derivatives play a significant role in the development of drugs for the treatment of Alzheimer's disease, as well as in anti-diarrhoeal, anti-proliferative, antibacterial, anti-inflammatory and anti-cancer agents[1].
Uses1-Indanone is an oxidation product of Indan, a component of fuels, solvents, and varnishes. 1-Indanone is also a metabolite of Thalidomide that has been shown to inhibit the attachment of tumor cells to concanavalin A coated plastic surfaces.
Uses1-Indanone is an oxidation product of indan, a component of fuels, solvents and varnishes. 1-Indanone is also a metabolite of Thalidomide that has been shown to inhibit the attachment of tumor cells to concanavalin A coated plastic surfaces.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
270 records
Compound notes
Loading…