4-Hydroxyindan

HCID 74233

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Basic information

CAS: 1641-41-4
Standard SMILES: Oc1cccc2c1CCC2
InChIKey: DPHNJPUOMLRELT-UHFFFAOYSA-N
Molecular formula: C9H10O
Average molar mass: 134.17 g/mol
Monoisotopic mass: 134.07316494

Names & identifiers

Preferred name: 4-Hydroxyindan
IUPAC: 2,3-dihydro-1H-inden-4-ol
English name: 4-Indanol
Molecular formula: C9H10O
Molecular weight: 134.18

Names & synonyms

4-Indanol2,3-dihydro-1H-inden-4-olIndan-4-ol1H-Inden-4-ol, 2,3-dihydro-4-hydroxyindan7PJT17BE054-HYDROXYHYDRINDENEEINECS 216-691-9UNII-7PJT17BE05NSC 64460NSC-64460DTXSID00167708

Show more names

SKL452

RefChem:198701DTXCID30901991H-Inden-4-ol, 2,3-dihydro-(9CI)1641-41-4MFCD000534314-hydroxyindaneNCIOpen2_000216SCHEMBL154077

Database identifiers

CAS: 1641-41-4
PubChem CID: 74233
DTXSID: DTXSID00167708
UNII: 7PJT17BE05
EC Number: 216-691-9
Nikkaji: J136.395F

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Physicochemical properties

Melting point: 47 · 47-51 °C
Boiling point: 245 °C · 245 °C
Density: 1.147 · 1.147±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: liquid
pka: 1 · pK1:10.32 (25°C)
color: Light brown
InChI: InChI=1S/C9H10O/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6,10H,1,3,5H2
InChIKey: DPHNJPUOMLRELT-UHFFFAOYSA-N
SMILES: C1C2=C(C(O)=CC=C2)CC1
FDA UNII: 7 PJT17BE05 · 7PJT17BE05
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 305 · P305+P351+P338
RIDADR: 2811 · 2811
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
HS Code: 2906290090 · 2906290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.