Basic information
- Standard SMILES
C1=COCCC1- InChIKey
BUDQDWGNQVEFAC-UHFFFAOYSA-N- Molecular formula
- C5H8O
- Average molar mass
- 84.12 g/mol
- Monoisotopic mass
- 84.05751488
Overview
Dihydro-2h-pyran appears as a clear colorless liquid with an ethereal odor. Less dense than water. Vapors heavier than air.
Names & identifiers
- Preferred name
- 3,4-dihydro-2H-pyran
- IUPAC
- 3,4-dihydro-2H-pyran
- English name
- 3,4-Dihydro-2H-pyran
- Molecular formula
- C5H8O
- Molecular weight
- 84.12
Names & synonyms
3,4-Dihydro-2H-pyran110-87-2DIHYDROPYRAN3,4-Dihydropyran2,3-Dihydro-4H-pyran2H-3,4-Dihydropyran5,6-Dihydro-4H-pyran2H-Pyran, 3,4-dihydro-delta2-DihydropyranPyran, dihydro-DTXSID6041426T6V9N71IHX
Show more names
DHP3,4-Dihydro-2H-pyraneDIHYDROPYRANE3,4-Dihydro-2-pyran3,4-dihydro-2h-pyra
NSC-57860NSC-73472DTXCID4021426RefChem:910852,3-DIHYDRO-GAMMA-PYRAN203-810-4Dihydro-2H-pyran2,3-Dihydropyran
Database identifiers
- CAS
110-87-2、25512-65-6、3174-74-1- PubChem CID
- 8080
- DTXSID
DTXSID6041426- ChEMBL
CHEMBL3184439- UNII
- T6V9N71IHX
- EC Number
- 203-810-4
- Nikkaji
- J43.463I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 57
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Ethers, Other
Flammable agents - 3rd degree
SpringerMaterials PropertiesCoriolis coupling
LogP0.69
Density0.922 @ 19°C
Flash Point0 °F (NFPA, 2010)
Physical Description
Dihydro-2h-pyran appears as a clear colorless liquid with an ethereal odor. Less dense than water. Vapors heavier than air.
Liquid
Clear colorless liquid with an ethereal odor; [CAMEO] Unpleasant odor; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -70 °C · -70 °C (lit.)
- Boiling point
- 86 °C · 86 °C (lit.)
- Density
- 0.922 g/mL · 0.922 g/mL at 25 °C (lit.)
- vapor density
- 2.9 · 2.9 (vs air)
- vapor pressure
- 77.8 hPa · 77.8 hPa (20 °C)
- refractive index
- 20 · n20/D 1.440(lit.)
- Flash point
- 4 °F · 4 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 7.7 g/l · 7.7g/l
- form
- Liquid
- color
- Clear colorless to yellow
- PH
- 7 · 7 (5g/l, H2O, 20℃)
- explosive limit
- 1.1 · 1.1-13.8%(V)
- Water Solubility
- 20 g/L · 20 g/L (20 ºC)
- BRN
- 103493 · 103493
- Stability
- Volatile
- InChI
- 1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2
- InChIKey
- BUDQDWGNQVEFAC-UHFFFAOYSA-N
- SMILES
- C1COC=CC1
- LogP
- 0.69 · 0.690
- CAS DataBase Reference
- 110 · 110-87-2(CAS DataBase Reference)
- FDA UNII
- 6 V9N71IHX · T6V9N71IHX
- NIST Chemistry Reference
- 2 H-Pyran, · 2H-Pyran, 3,4-dihydro-(110-87-2)
- EPA Substance Registry System
- 2 H-Pyran, · 2H-Pyran, 3,4-dihydro- (110-87-2)
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H317-H319-H412
- Precautionary statements
- 210 · P210-P233-P273-P280-P303+P361+P353-P305+P351+P338
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xi
- Risk Statements
- 11 · 11-36/37/38-36/38-19
- Safety Statements
- 16 · 16-26-36-37/39-33-7/9
- RIDADR
- 2376 · UN 2376
- WGK Germany
- 3 · 3
- RTECS
- 7700000 · UP7700000
- Autoignition Temperature
- 240 °C · 240 °C
- Hazard Note
- Highly Flammable/Irritant
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29329995 · 29329995
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 Eye · Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2Skin Sens. 1B
- Toxicity
- 50 orally · LD50 orally in Rabbit: > 4000 mg/kg
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 180 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
Hazard information
Regulatory Information
Chemical: 2H-Pyran, 3,4-dihydro-
2H-Pyran, 3,4-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Pyran, 3,4-dihydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 29-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12042
2H-Pyran, 3,4-dihydro-: HSNO Approval: HSR001129 Approved with controls
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
· Inhalation or contact with material may irritate or burn skin and eyes.
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
DOT ID and Guide2376 127
Reactive GroupEthers
Reactivity AlertsHighly Flammable
Reactivity Profile
Ethers, such as DIHYDRO-2H-PYRAN, can act as bases. They form salts with strong acids and addition complexes with Lewis acids. The complex between diethyl ether and boron trifluoride is an example. Ethers may react violently with strong oxidizing agents. In other reactions, which typically involve the breaking of the carbon-oxygen bond, ethers are relatively inert.
DOT Hazard Classification
2,3-Dihydropyran
UN2376
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Slightly soluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquids - Category 2
Skin sensitization - Category 1B
Flammable agents - 3rd degree, Reactive agents - 1st degree
Safety & protection
Fire FightingExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Isolation and Evacuation
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Immediate precautionary measure
Protective Action Criteria (PAC)
14 [mg/m3]
150 [mg/m3]
910 [mg/m3]
Personal Protective Equipment (PPE)Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
Toxicology
Toxicity DataLC50 (rat) > 10,700 mg/m3/4hr
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UP7700000
- ridadr
- UN 2376
- hs_code
- 29329995
- Toxicity
- LD50 orally in Rabbit: > 4000 mg/kg
- risk_code
- 11-36/37/38-36/38-19
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- hazard_note
- Highly Flammable/Irritant
- safety_code
- 16-26-36-37/39-33-7/9
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H315-H317-H319-H412
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2Skin Sens. 1B
- Autoignition Temperature
- 240 °C
- Precautionary statements
- P210-P233-P273-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA] Used in organic syntheses; [REPROTOX]
U.S. Production2023: 75,000 - <500,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2H-Pyran, 3,4-dihydro-: ACTIVE
Applications
UsesWidely used hydroxyl-protecting reagent3,4-Dihydro-2H-pyran is used as a hydroxyl-protecting reagent in organic synthesis. It acts as an intermediate in synthetic chemistry. It is used to protect various reactive functional groups. It is involved in the polymerization reaction either alone or with unsaturated compound and finds application in polymer industries. Further, it is employed in the preparation of bicyclic compounds of epoxide-fused, halo compounds and allenic alcohols.
Upstream & downstream products
Upstream raw materials
Downstream products
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