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4454-05-1

Basic Information
CAS No.: 4454-05-1
Name: 3,4-DIHYDRO-2-METHOXY-2H-PYRAN
Molecular Structure:
Molecular Structure of 4454-05-1 (3,4-DIHYDRO-2-METHOXY-2H-PYRAN)
Formula: C6H10O2
Molecular Weight: 114.144
Synonyms: 2,3-Dihydro-2-methoxy-4H-pyran;2-Methoxy-2,3-dihydro-4H-pyran;2-Methoxy-3,4-dihydropyran;2H-2-Methoxy-3,4-dihydropyran;3,4-Dihydro-2-methoxy-2H-pyran;NSC 44974;
EINECS: 224-698-3
Density: 0.987 g/cm3
Boiling Point: 149.348 °C at 760 mmHg
Flash Point: 16.667 °C
Appearance: clear colourless to yellow liquid
Hazard Symbols: HarmfulXn,FlammableF
Risk Codes: 22-11-36-20-10
Safety: 9-33-16-36-26
PSA: 18.46000
LogP: 1.28300
Synthetic route
107-25-5

methoxyethene

107-02-8

acrolein

4454-05-1

2-methoxy-3,4-dihydro-2H-pyran

Conditions
ConditionsYield
With 2,6-di-tert-butyl-4-methyl-phenol at 135℃; under 22502.3 Torr; for 12h; Product distribution / selectivity;92%
With 2,6-di-tert-butyl-4-methyl-phenol at 135℃; for 12h; Product distribution / selectivity;77%
With hydroquinone
at 135℃;
107-25-5

methoxyethene

123-31-9

hydroquinone

107-02-8

acrolein

4454-05-1

2-methoxy-3,4-dihydro-2H-pyran

Conditions
ConditionsYield
at 135℃;
at 180℃;
107-25-5

methoxyethene

107-02-8

acrolein

A

4454-05-1

2-methoxy-3,4-dihydro-2H-pyran

B

2-Methoxy-3,4,4a,8a-tetrahydro-2H,5H-pyrano[2,3-b]pyran

Conditions
ConditionsYield
at 180℃;
67-56-1

methanol

142-29-0

cyclopentene

A

4454-05-1

2-methoxy-3,4-dihydro-2H-pyran

B

6026-86-4

methyl 4-formylbutanoate

C

23068-91-9

methyl 5,5-dimethoxyvalerate

D

1119-40-0

Dimethyl glutarate

E

4454-02-8

1,1,5,5-tetramethoxy-pentane

F

111-30-8

Glutaraldehyde

G

cis- and trans-2,6-dimethoxytetrahydropyran, CH3Cl

cis- and trans-2,6-dimethoxytetrahydropyran, CH3Cl

Conditions
ConditionsYield
With hydrogenchloride; ozone Product distribution; Mechanism; -78 deg to r.t.;A n/a
B 2 % Chromat.
C 46 % Chromat.
D 23 % Chromat.
E 27 % Chromat.
F 1 % Chromat.
G n/a
4454-05-1

2-methoxy-3,4-dihydro-2H-pyran

407-25-0

trifluoroacetic anhydride

220370-51-4

2,2,2-trifluoro-1-(2-methoxy-3,4-dihydro-2H-5-pyranyl)-2,2,2-trifluoro-1-ethanone

Conditions
ConditionsYield
With pyridine In chloroform for 18h; Ambient temperature;100%
With pyridine In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere;80%
With pyridine In chloroform at 0 - 25℃; for 16h;
4454-05-1

2-methoxy-3,4-dihydro-2H-pyran

6581-66-4

2-methoxytetrahydropyran

Conditions
ConditionsYield
With hydrogen; palladium on activated carbon at 20℃; under 6000.6 - 15001.5 Torr; for 1.5h; Product distribution / selectivity;96%
4454-05-1

2-methoxy-3,4-dihydro-2H-pyran

111-30-8

Glutaraldehyde

Conditions
ConditionsYield
With sodium dihydrogenphosphate In water at 20 - 92℃; under 150.015 Torr; Temperature; Large scale;95.4%
With cation-exchange resin KU-2 and KU-2-8 In water at 20 - 30℃;40%
With water at 150℃;
4454-05-1

2-methoxy-3,4-dihydro-2H-pyran

67-56-1

methanol

4454-02-8

1,1,5,5-tetramethoxy-pentane

Conditions
ConditionsYield
With hydrogenchloride at -10℃; for 1.5h;91%
With hydrogenchloride
4454-05-1

2-methoxy-3,4-dihydro-2H-pyran

106-95-6

allyl bromide

111512-38-0

4,8-dihydroxy-1,10-undecanediene

Conditions
ConditionsYield
With tin; water at 20℃;89%
4454-05-1

2-methoxy-3,4-dihydro-2H-pyran

119-53-9

2-hydroxy-2-phenylacetophenone

benzoin 2-methoxy-tetrahydropyranyl ether

Conditions
ConditionsYield
In benzene87.4%
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    3,4-Dihydro-2-Methoxy-2H-Pyran Cas No.:4454-05-1 Molecular Structure: EINECS No.: 224-698-3 Molecular Formula: C6H10O2 M.W: 114.14 Properties: 1) Appearance: Colorless to light yellow transparent liquid 2) B.P: 126°C 3) Flash poin

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    Product name: 3,4-Dihydro-2-Methoxy-2H-Pyran CAS No.:4454-05-1 Molecule Formula:C6H10O2 Molecule Weight:114.14 Purity: 98.0% Package: 200kg/drum Description:Colorless or yellowish clear liquid Manufacture Standards:Enterprise Standard

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    3,4-Dihydro-2-methyl-pyran Boiling point 126 ° C Density 1.006 g / mL at 25 ° C (lit.) Refractive index 1.441-1.443 Flash point 16 ° C Storage conditions Flammables are

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Specification

The 2H-Pyran, 3, 4-dihydro-2-methoxy-, with the CAS registry number of 4454-05-1, is also known as 3, 4-Dihydro-2-methoxy-2H-pyran. Its EINECS registry number is 224-698-3. This chemical's molecular formula is C6H10O2 and molecular weight is 114.14. What's more, its IUPAC name is 2-Methoxy-3, 4-dihydro-2H-pyran. In addition, it must be stored in airtight containers and placed in a dry, ventilated place. Meanwhile, it should be avoided contact with light. This chemical's classification codes are Drug/Therapeutic Agent; Skin/Eye Irritant.

Physical properties about 2H-Pyran, 3, 4-dihydro-2-methoxy- are: (1)ACD/LogP: -0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.1; (4)ACD/LogD (pH 7.4): -0.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.14; (8)ACD/KOC (pH 7.4): 21.14; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 31.14 cm3; (15)Molar Volume: 115.6 cm3; (16)Surface Tension: 28.4 dyne/cm; (17)Density: 0.98 g/cm3; (18)Flash Point: 16.7 °C; (19)Enthalpy of Vaporization: 37.03 kJ/mol; (20)Boiling Point: 149.3 °C at 760 mmHg; (21)Vapour Pressure: 5.14 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce Pentanedial. The reaction needs reagent cation-exchange resin KU-2 and KU-2-8. Meanwhile, it needs solvent H2O. The reaction temperature is 20-30 °C. The yield is about 40 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes. In addition, this chemical is harmful if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O(C)C1O\C=C/CC1
(2) InChI: InChI=1/C6H10O2/c1-7-6-4-2-3-5-8-6/h3,5-6H,2,4H2,1H3
(3) InChIKey: XCYWUZHUTJDTGS-UHFFFAOYAG

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 4920mg/kg (4920mg/kg) LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
Veterinary and Human Toxicology. Vol. 30, Pg. 545, 1988.
 
rat LCLo inhalation 8044ppm/1H (8044ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: PLEURAL EFFUSION
Veterinary and Human Toxicology. Vol. 30, Pg. 545, 1988.
 
rat LD50 oral 1410mg/kg (1410mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Veterinary and Human Toxicology. Vol. 30, Pg. 545, 1988.