CAS 3749-36-8 3,4-dihydro-2H-pyran-2-methanol (HCID 95559)

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Basic information

CAS: 3749-36-8
Standard SMILES: OCC1CCC=CO1
InChIKey: XMICBFRKICBBKD-UHFFFAOYSA-N
Molecular formula: C6H10O2
Average molar mass: 114.14 g/mol
Monoisotopic mass: 114.06807956

Names & identifiers

Preferred name: 3,4-dihydro-2H-pyran-2-methanol
IUPAC: 3,4-dihydro-2H-pyran-2-ylmethanol
English name: 3,4-Dihydro-2H-pyran-2-methanol
Molecular formula: C6H10O2
Molecular weight: 114.14

Names & synonyms

3,4-Dihydro-2H-pyran-2-methanol3749-36-82H-Pyran-2-methanol, 3,4-dihydro-AI3-24752EINECS 223-150-0DTXSID301305096NSC 20753RefChem:486150DTXCID10930364223-150-02-Hydroxymethyl-3,4-dihydro-2H-pyran3,4-Dihydro-2H-pyran-2-ylmethanol

Show more names

DHP LINKER, 99% MIN.DHP Linker (2--3,4-)Dihydro-2H-pyran-2-Me3,4-DIHYDRO-2H-PYRANE-2-METHANOL2-Hydroxymethyl-3,4-dihydropyran3,4-Dihydroxy-2H-pyran-2-Methanol

DHP linker(3,4-dihydro-2H-pyran-2-yl)methanolMFCD00051507hydroxymethyldihydro-pyranNSC20753M02893NSC-20753HY-34692

Database identifiers

CAS: 3749-36-8
PubChem CID: 95559
DTXSID: DTXSID301305096
EC Number: 223-150-0
Nikkaji: J217.647E

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 88

Physicochemical properties

Boiling point: 92 · 92-93 °C25 mm Hg(lit.)
Density: 1.101 g/mL · 1.101 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.478(lit.)
Flash point: 85 °C · 85°C
storage temp.: 2 · 2-8°C
solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
pka: 14.34 · 14.34±0.10(Predicted)
form: clear liquid
color: Colorless to Almost colorless
BRN: 107275 · 107275
InChI: InChI=1S/C6H10O2/c7-5-6-3-1-2-4-8-6/h2,4,6-7H,1,3,5H2
InChIKey: XMICBFRKICBBKD-UHFFFAOYSA-N
SMILES: C1(CO)OC=CCC1
CAS DataBase Reference: 3749 · 3749-36-8(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22

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 (97.6%): 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 42 reports by companies from 5 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.