Basic information
- Standard SMILES
OC1Cc2ccccc2C1- InChIKey
KMGCKSAIIHOKCX-UHFFFAOYSA-N- Molecular formula
- C9H10O
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.07316494
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Indanol
- IUPAC
- 2,3-dihydro-1H-inden-2-ol
- English name
- 2-Indanol
- Molecular formula
- C9H10O
- Molecular weight
- 134.18
Names & synonyms
2-Indanol4254-29-9Indan-2-olNSC-17485B77NA7SM29DTXSID30195332RefChem:790888DTXCID40117823224-230-82,3-dihydro-1H-inden-2-ol2-Hydroxyindane2-Hydroxyindan
Show more names
2-lndanolNSC 174852-indenol2-Indanole2-Indanol,99%2-INDANOL 99%
2-Hydroxyhydrindene1H-Inden-2-ol, 2,3-dihydro-MFCD000038002-Indanol, 99%NSC17485EINECS 224-230-8UNII-B77NA7SM29STR07439
Database identifiers
- CAS
4254-29-9- PubChem CID
- 77936
- DTXSID
DTXSID30195332- UNII
- B77NA7SM29
- EC Number
- 224-230-8
- Nikkaji
- J113.865K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesDielectric constant
Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 68 · 68-71 °C (lit.)
- Boiling point
- 120 · 120-123 °C (12.0016 mmHg)
- Density
- 0.854 · 0.8540 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- Flash point
- 109 °C · 109 °C
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystaline
- pka
- 15.17 · 15.17±0.20(Predicted)
- color
- White to Light yellow
- Water Solubility
- 6 g/L · 6 g/L (20 ºC)
- BRN
- 1862567 · 1862567
- InChI
- InChI=1S/C9H10O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2
- InChIKey
- KMGCKSAIIHOKCX-UHFFFAOYSA-N
- SMILES
- C1C2=C(C=CC=C2)CC1O
- CAS DataBase Reference
- 4254 · 4254-29-9(CAS DataBase Reference)
- FDA UNII
- 77 NA7SM29 · B77NA7SM29
- NIST Chemistry Reference
- 2 · 2-Indanol(4254-29-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 280 i-P301+P310a-P305+P351+P338-P321-P405-P501a · P280i-P301+P310a-P305+P351+P338-P321-P405-P501a
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn,Xi
- Risk Statements
- 36 · 36/37/38-22-36
- Safety Statements
- 37 · 37/39-26-36/37/39-27-36
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29062990 · 29062990
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 11.1% (1 of 9) of reports.
Warning
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1H-Inden-2-ol, 2,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29062990
- risk_code
- 36/37/38-22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,Xi
- safety_code
- 37/39-26-36/37/39-27-36
- hazard_class
- 6.1(b)
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H301-H319
- Precautionary statements
- P280i-P301+P310a-P305+P351+P338-P321-P405-P501a
Chemistry & industry
Applications
Uses2-Indanamine metabolite.
General Description2-Indanol is stabilized by internal hydrogen bonding in its most stable form. The resonantly enhanced multiphoton ionization (REMPI) and zero kinetic energy (ZEKE) photoelectron spectroscopy of 2-indanol was studied.
Upstream & downstream products
Downstream products
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Related reactions
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