2-(1,4-Dioxaspiro(4.5)decan-8-yl)ethan-1-ol

HCID 11805458CAS 135761-76-1

Substructure search Find similar structures

Basic information

Standard SMILES: OCCC1CCC2(CC1)OCCO2
InChIKey: TXUGEISFHODXQL-UHFFFAOYSA-N
Molecular formula: C10H18O3
Average molar mass: 186.25 g/mol
Monoisotopic mass: 186.12559444

Names & identifiers

Preferred name: 2-(1,4-Dioxaspiro(4.5)decan-8-yl)ethan-1-ol
IUPAC: 2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol
English name: 2-(1,4-Dioxa-spiro[4.5]dec-8-yl)-ethanol
Molecular formula: C10H18O3
Molecular weight: 186.25

Names & synonyms

2-{1,4-dioxaspiro[4.5]decan-8-yl}ethan-1-ol2-(1,4-Dioxaspiro[4.5]decan-8-yl)ethan-1-ol2-(1,4-Dioxaspiro(4.5)decan-8-yl)ethan-1-olRefChem:450488874-832-5135761-76-12-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol1,4-Dioxaspiro[4.5]decane-8-ethanolMFCD077794362-(1,4-Dioxa-spiro[4.5]dec-8-yl)-ethanolPS-166982-(1,4-Dioxaspiro[4.5]dec-8-yl)ethanol

Show more names

2-(1,4-Dioxa-spiro[4.5]dec-8-yl)ethanol2-(1,4-Dioxaspiro[4.5]decan-8-yl) ethanolSCHEMBL1024122-(1,4-Dioxaspiro[4.5]DTXSID80473076TXUGEISFHODXQL-UHFFFAOYSA-NKFA76176AKOS006286382

Database identifiers

CAS: 135761-76-1
PubChem CID: 11805458
DTXSID: DTXSID80473076
EC Number: 874-832-5

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 154

Physicochemical properties

Boiling point: 297.9 · 297.9±15.0 °C(Predicted)
Density: 1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 15.12 · 15.12±0.10(Predicted)
Appearance: light yellow liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P