CAS 1196-17-4 1-Indanmethanol (HCID 271880)

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Basic information

CAS: 1196-17-4
Standard SMILES: OCC1CCc2ccccc21
InChIKey: GJZQCDPVYVQVBP-UHFFFAOYSA-N
Molecular formula: C10H12O
Average molar mass: 148.2 g/mol
Monoisotopic mass: 148.088815

Names & identifiers

Preferred name: 1-Indanmethanol
IUPAC: 2,3-dihydro-1H-inden-1-ylmethanol
English name: (2,3-dihydro-1H-inden-1-yl)Methanol
Molecular formula: C10H12O
Molecular weight: 148.2

Names & synonyms

1196-17-42,3-dihydro-1H-inden-1-ylmethanol1-IndanmethanolDTXSID80297411RefChem:433218DTXCID20248548830-390-5(2,3-Dihydro-1H-inden-1-yl)methanol1-(Hydroxymethyl)indan1H-Indene-1-methanol, 2,3-dihydro-MFCD18089511NSC-115866

Show more names

In dan-1-ylmethanol

1-Indanemethanol1-Indanylmethanolindanylmethan-1-olNSC115866indan-1-yl-methanol1-Hydroxymethylindane7ZBC5FDL2DSCHEMBL1125363

Database identifiers

CAS: 1196-17-4
PubChem CID: 271880
DTXSID: DTXSID80297411
UNII: 7ZBC5FDL2D
EC Number: 830-390-5
Nikkaji: J1.237.997H

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 133

Physicochemical properties

Boiling point: 1345 °C · 1345 °C(Press: 15 Torr)
Density: 1.08 · 1.080±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 14.74 · 14.74±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H302-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2906290090 · 2906290090

Safety & regulation

Safety data

hs_code: 2906290090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H302-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P