1,4-Dioxaspiro(4.5)decan-8-ol

HCID 567352

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Basic information

CAS: 22428-87-1
Standard SMILES: OC1CCC2(CC1)OCCO2
InChIKey: HKQTYQDNCKMNHZ-UHFFFAOYSA-N
Molecular formula: C8H14O3
Average molar mass: 158.19 g/mol
Monoisotopic mass: 158.09429431

Names & identifiers

Preferred name: 1,4-Dioxaspiro(4.5)decan-8-ol
IUPAC: 1,4-dioxaspiro[4.5]decan-8-ol
English name: 1,4-Dioxa-spiro[4.5]decan-8-ol
Molecular formula: C8H14O3
Molecular weight: 158.2

Names & synonyms

1,4-Dioxaspiro[4.5]decan-8-ol22428-87-14,4-Ethylenedioxycyclohexanol8-Hydroxy-1,4-dioxaspiro[4.5]decaneDTXSID903407851,4-Dioxaspiro(4.5)decan-8-ol1,4-dioxaspiro[4.5)decan-8-ol8-Hydroxy-1,4-dioxaspiro(4.5)decaneRefChem:220759DTXCID10291866807-318-6HKQTYQDNCKMNHZ-UHFFFAOYSA-N

Show more names

4-Dioxaspiro[4.5]decan-8-ol4,4-Ethylenedioxycyclohexanol.4,4-(Ethylenebisoxy)cyclohexanol1,4-Dioxaspiro[4.5]decan-8-ol,98%4-Hydroxycyclohexanone Ethylene Ketal4-Hydroxycyclohexanone ethylene acetal, 90+%4-Hydroxycyclohexanone ethylene glycol ketal

1,4-Dioxa-spiro[4.5]decan-8-ol4-Hydroxycyclohexanone ethylene acetalMFCD000670034-Hydroxycyclohexanone monoethylene ketalAB3685CS-W0074744-hydroxycyclohexanone ethylene monoketal1,4-dioxaspiro[4.5]-decan-8-ol

Database identifiers

CAS: 22428-87-1
PubChem CID: 567352
DTXSID: DTXSID90340785
EC Number: 807-318-6
Nikkaji: J129.280C

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 130

Physicochemical properties

Boiling point: 103 · 103-104 °C(Press: 0.55 Torr)
Density: 1.17 · 1.17±0.1 g/cm3(Predicted)
refractive index: 1.485 · 1.485-1.487
storage temp.: 2 · Inert atmosphere,2-8°C
pka: 15.11 · 15.11±0.20(Predicted)
form: Viscous Liquid
color: Clear colorless
InChI: InChI=1S/C8H14O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7,9H,1-6H2
InChIKey: HKQTYQDNCKMNHZ-UHFFFAOYSA-N
SMILES: O1C2(CCC(O)CC2)OCC1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H413
Precautionary statements: 264 · P264-P273-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Hazard Codes: Xi
Safety Statements: 24 · 24/25
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 11-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33958

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

Safety data

hs_code: 29339900
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
Hazard statements: H315-H319-H413
REACH Registrations: Active
Precautionary statements: P264-P273-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501