CAS 428871-03-8 3-(Oxan-4-yl)propan-1-ol (HCID 22272891)

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Basic information

CAS: 428871-03-8
Standard SMILES: OCCCC1CCOCC1
InChIKey: FGWQPRUQOJWITB-UHFFFAOYSA-N
Molecular formula: C8H16O2
Average molar mass: 144.21 g/mol
Monoisotopic mass: 144.11502975

Names & identifiers

Preferred name: 3-(Oxan-4-yl)propan-1-ol
IUPAC: 3-(oxan-4-yl)propan-1-ol
English name: 3-(Tetrahydro-2H-pyran-4-yl)propan-1-ol
Molecular formula: C8H16O2
Molecular weight: 144.21

Names & synonyms

3-(oxan-4-yl)propan-1-ol428871-03-8DTXSID70624151RefChem:275774DTXCID70574905842-909-23-(tetrahydro-2H-pyran-4-yl)propan-1-ol2H-Pyran-4-propanol, tetrahydro-SCHEMBL968476SCHEMBL4492568FGWQPRUQOJWITB-UHFFFAOYSA-N3-tetrahydropyran-4-ylpropan-1-ol

Show more names

tetrahydro-2H-Pyran-4-propanol

DSA87103AKOS011898263AT288173-(tetrahydro-pyran-4-yl)-propan-1-olDA-059093-(tetrahydro-2H-pyran-4-yl)-1-propanolEN300-189390F520695

Database identifiers

CAS: 428871-03-8
PubChem CID: 22272891
DTXSID: DTXSID70624151
EC Number: 842-909-2

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 77

Physicochemical properties

Boiling point: 143 · 143-145 °C(Press: 20 Torr)
Density: 0.967 · 0.967±0.06 g/cm3(Predicted)
pka: 15.14 · 15.14±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

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