Basic information
- 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 properties
- 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
- Odor
- Rather weak, woody and somewhat medicinal odor with an incense-like undertone.
- biological source
- mouse
- Odor Threshold
- 0.0088 ppm · 0.0088ppm
- Water Solubility
- 6.5 g/L · 6.5 g/L (20 C)
- BRN
- 507957 · 507957
- Stability
- Light sensitive
- InChI
- 1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
- InChIKey
- QNXSIUBBGPHDDE-UHFFFAOYSA-N
- SMILES
- O=C1CCc2ccccc12
- CAS DataBase Reference
- 83 · 83-33-0(CAS DataBase Reference)
- FDA UNII
- 7021 Y717I · V7021Y717I
- NIST Chemistry Reference
- 1 H-Inden-1-one, · 1H-Inden-1-one, 2,3-dihydro-(83-33-0)
- EPA Substance Registry System
- 1 H-Inden-1-one, · 1H-Inden-1-one, 2,3-dihydro- (83-33-0)
- UNSPSC Code
- 12352203 · 12352203
- NACRES
- 41 · NA.41
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312a-P330-P501a
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 22 · 22-24/25-36-26
- WGK Germany
- 3 · 3
- Autoignition Temperature
- 525 °C · 525 °C
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29143900 · 29143900
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
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
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- REACH Registrations
- Active
- Autoignition Temperature
- 525 °C
- Precautionary statements
- P264-P270-P301+P312a-P330-P501a
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
Additional notes
DefinitionChEBI: An indanone that consists of 2,3-dihydro-1H-indene substituted by an oxo group at position 1.
Related reactions
270 records
Linked notes
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