3,4-dihydro-2H-pyran (HCID 8080)

概要

Dihydro-2h-pyran appears as a clear colorless liquid with an ethereal odor. Less dense than water. Vapors heavier than air.

名称と識別子

優先名称: 3,4-dihydro-2H-pyran
IUPAC: 3,4-dihydro-2H-pyran
現地名: 3,4-ジヒドロ-2H-ピラン
英語名: 3,4-Dihydro-2H-pyran
分子式: C5H8O
分子量: 84.12

名称と別名

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

名称をさらに表示

3,4-ジヒドロ-2H-ピランジヒドロピラン2,3-ジヒドロ-4H-ピラン5,6-ジヒドロ-4H-ピラン3,4-ジヒドロ2H-ピランΔ2-ジヒドロピラン2,3-ジヒドロピラン2,3‐ジヒドロピラン3,4‐ジヒドロ‐2H‐ピラン3,4-ジヒドロ-2H-ピラン, 99%DHPDHP3,4-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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.7
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 57

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Ethers, Other

Flammable agents - 3rd degree

SpringerMaterials PropertiesCoriolis coupling

LogP0.69

Density0.922 @ 19°C

Flash Point0 °F (NFPA, 2010)

Physical Description · 3 件

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]

物理化学的性質

融点: -70 °C · -70 °C (lit.)
沸点: 86 °C · 86 °C (lit.)
比重(密度): 0.922 g/mL · 0.922 g/mL at 25 °C (lit.)
蒸気密度: 2.9 · 2.9 (vs air)
蒸気圧: 77.8 hPa · 77.8 hPa (20 °C)
屈折率: 20 · n20/D 1.440(lit.)
闪点: 4 °F · 4 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 7.7 g/リットル · 7.7g/リットル
外見: 液体
色: 無色透明～黄色
PH: 7 · 7 (5g/l, H2O, 20℃)
爆発限界(explosive limit): 1.1 · 1.1-13.8%(V)
水溶解度: 20 g/L · 20g/L(20℃)
BRN: 103493 · 103493
安定性: 揮発性
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 データベース: 110 · 110-87-2(CAS DataBase Reference)
NISTの化学物質情報: 2 H-Pyran, · 2H-Pyran, 3,4-dihydro-(110-87-2)
EPAの化学物質情報: 2 H-Pyran, · 2H-Pyran, 3,4-dihydro- (110-87-2)

化学的性質

化学的特性colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 5 件

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 · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 件

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

安全と保護具

Fire FightingExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Accidental Release Measures · 2 件

· 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 · 2 件

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 · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Immediate precautionary measure

毒性情報

Toxicity DataLC50 (rat) > 10,700 mg/m3/4hr

安全データ

wgk: 3
tsca: TSCA listed
rtecs: UP7700000
ridadr: UN 2376
毒性: LD50 orally in Rabbit: > 4000 mg/kg
hs_code: 29329995
risk_code: 11-36/37/38-36/38-19
化審法: (5)-670
消防法: 危-4-1-II
hazard_code: F,Xi
hazard_note: Highly Flammable/Irritant
safety_code: 16-26-36-37/39-33-7/9
hazard_class: 3
packing_group: II
自然発火温度: 240 °C
Hazard Classifications: Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2Skin Sens. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

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 · 2 件

All Other Basic Organic Chemical Manufacturing

2H-Pyran, 3,4-dihydro-: ACTIVE

応用分野 · 4 件

用途有機合成用、OH基の保護試薬。

用途水酸基(アルコール、フェノール)の保護試薬。

使用Widely 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.

使用用途ジヒドロピランの主な使用用途は、有機合成原料・有機合成試薬です。特に、アルコールやフェノールなどの水酸基の保護に用いられます。酸触媒を用いてジヒドロピランをアルコールと反応させると、テトラヒドロピラニル基を生成し、アルコールの保護基の役割を果たします。また、ジヒドロピランはやテトラヒドロピラニルエーテルを生成する原料としても用いられる化合物です。

調製方法 · 1 件

純化方法Partially dry dihydropyran with Na2CO3, then fractionally distil it. The fraction b 84-85o is refluxed with Na until hydrogen no longer evolves when fresh Na is added. It is then dried, and distilled again through a 60 x 1.2cm column packed with glass rings [Brandon et al. J Am Chem Soc 72 2120 1950, UV: Elington et al. J Chem Soc 2873 1952, NMR: Bushweller & O'Neil Tetrahedron Lett 4713 1969]. It has been characterised as the 3,5-dinitrobenzoyloxy-tetrahydrofuran derivative, m 103o which forms pale yellow crystals from dihydropyran/Et2O [Woods & Kramer J Am Chem Soc 69 2246 1947]. [Beilstein 17/1 V 181.]