プロピルエーテル

Propyl ether

HCID 8114CAS 111-43-3

基本情報

標準SMILES
CCCOCCC
InChIKey
POLCUAVZOMRGSN-UHFFFAOYSA-N
分子式
C6H14O
平均分子量
102.17 g/mol
単同位体質量
102.10446507

名称と識別子

優先名称
Propyl ether
IUPAC
1-propoxypropane
現地名
プロピルエーテル
英語名
n-Propyl ether
分子式
C6H14O
分子量
102.17

名称と別名

Dipropyl etherPROPYL ETHERn-Propyl ether111-43-3Dipropyl oxide4-OxaheptanePropane, 1,1'-oxybis-1,1'-OxybispropaneEther, di-n-propyl-DTXSID8042343UN238442Q250HS4G
名称をさらに表示
プロピルエーテルジプロピルエーテル酸化プロピルn-プロピルエーテルジ-n-プロピルエーテルジ‐N‐プロピルエーテル(n-C3H7)2Odipropyloxidep-Propyletherether,dipropyl
1,1'-OXYBIS(PROPANE)DTXCID6022343UN-23841,1'-Oxybis[propane]RefChem:134842203-869-6Di-n-propyl ether1-Propoxypropane

データベース識別子

CAS
111-43-3
PubChem CID
8114
DTXSID
DTXSID8042343
ChEMBL
CHEMBL3187166
UNII
42Q250HS4G
EC Number
203-869-6
Nikkaji
J5.109H

物性

構造計算による物性

XLogP
2
極性表面積
9.2 Ų
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
4
重原子数
7

実験および物理化学的性質

LogP · 2 件

log Kow = 2.03

2.03

Density · 2 件

0.7466 at 20 °C/4 °C

Relative density (water = 1): 0.7

Color/FormMobile liquid
Solubility · 3 件

Soluble in alcohol, ether

In water, 4.9X10+3 mg/L at 25 °C

Solubility in water, g/100ml at 25 °C: 0.25

Flash Point · 3 件

70 °F (NFPA, 2010)

70 °F (21 °C) (Closed cup)

21 °C c.c.

Boiling Point · 2 件

89-91 °C

88-90 °C

物理化学的性質

融点
-123 °C · -123 °C
沸点
88 · 88-90 °C(lit.)
比重(密度)
0.736 g/mL · 0.736 g/mL at 25 °C(lit.)
蒸気圧
55 mm · 55 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.380(lit.)
闪点
40 °F · 40 °F

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids];H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

危険有害性情報

Regulatory Information · 4 件

Chemical: Propane, 1,1'-oxybis-

Propane, 1,1'-oxybis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propane, 1,1'-oxybis- 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)

Propane, 1,1'-oxybis-: HSNO Approval: HSR001139 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 · 3 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:;HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. CAUTION: Ethanol (UN1170) can burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.) Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024)

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.;CAUTION: Ethanol (UN1170) can burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.);· Vapors may form explosive mixtures with air.;· Vapors may travel to source of ignition and flash back.;· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).;· Vapor explosion hazard indoors, outdoors or in sewers.;· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.;· Runoff to sewer may create fire or explosion hazard.;· Containers may explode when heated.;· Many liquids will float on water.

Flammable. Above 21 °C explosive vapour/air mixtures may be formed.

Fire Potential · 3 件

EXTREMELY FLAMMABLE.

A flammable liquid and dangerous fire hazard when exposed to heat, flame, or oxidizers.

ONLY ELECTRICAL EQUIPMENT OF EXPLOSION-PROOF TYPE (GROUP C CLASSIFICATION) IS PERMITTED TO BE OPERATED IN ETHER AREAS. ETHER SHOULD NOT BE STORED NEAR POWERFUL OXIDIZERS OR IN AREAS OF HIGH FIRE HAZARD. /ETHERS/

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. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)

· Inhalation or contact with material may irritate or burn skin and eyes.;· Fire may produce irritating, corrosive and/or toxic gases.;· Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas.;· Runoff from fire control or dilution water may cause environmental contamination.

Hazards SummaryHas anesthetic effects; [ICSC]

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:;CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: For fire involving UN1170, UN1987 or UN3475, alcohol-resistant foam should be used. CAUTION: Ethanol (UN1170) can burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.).;SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam.;LARGE FIRE: Water spray, fog or alcohol-resistant foam. Avoid aiming straight or solid streams directly onto the product. If it can be done safely, move undamaged containers away from the area around the fire.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

Use foam, dry powder, carbon dioxide. NO water. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 件

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth.

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.;· Keep unauthorized personnel away.;· Stay upwind, uphill and/or upstream.;· Ventilate closed spaces before entering, but only if properly trained and equipped.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.;· All equipment used when handling the product must be grounded.;· Do not touch or walk through spilled material.;· Stop leak if you can do it without risk.;· Prevent entry into waterways, sewers, basements or confined areas.;· A vapor-suppressing foam may be used to reduce vapors.;· Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers.;· Use clean, non-sparking tools to collect absorbed material.;Large Spill;· Dike far ahead of liquid spill for later disposal.;· Water spray may reduce vapor, but may not prevent ignition in closed spaces.

First Aid · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:;Refer to the "General First Aid" section. Specific First Aid: Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. (ERG, 2024)

General First Aid:;· Call 911 or emergency medical service.;· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.;· Move victim to fresh air if it can be done safely.;· Administer oxygen if breathing is difficult.;· If victim is not breathing:;-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.;-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).;-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.;· Remove and isolate contaminated clothing and shoes.;· For minor skin contact, avoid spreading material on unaffected skin.;· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.;· For severe burns, immediate medical attention is required.;· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.;· Keep victim calm and warm.;· Keep victim under observation.;· For further assistance, contact your local Poison Control Center.;· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.;Specific First Aid:;· Wash skin with soap and water.

Safe StorageFireproof. Cool. Keep in the dark.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).;· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.

毒性情報

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 15(SRC), determined from a structure estimation method(2), indicates that propyl ether is expected to have very high mobility in soil(SRC). Volatilization of dipropyl ether from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 2.2X10-3 atm-cu m/mole(3). Volatilization of dipropyl ether from dry soil surfaces is expected(SRC) based upon a vapor pressure of 62.5 mm Hg(4). Limited biodegradation data(5,6) suggest that dipropyl ether may be biodegraded in soil if acclimated microbial populations are present(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 15(SRC), determined from a structure estimation method(2), indicates that propyl ether is not expected to adsorb to suspended solids and sediment in the water column(SRC). Dipropyl ether is expected to volatilize from water surfaces(3) based on a Henry's Law constant of 2.2X10-3 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), estimated volatilization half-lives for a model river and model lake are 3.6 hours and 4.1 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 7(SRC), from log Kow of 2.03(6), and a regression derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Following a lag period of 13 days, dipropyl ether reached 63% of its theoretical BOD after 25 days incubation in an activated sludge aqueous screening study(8). In another activated sludge screening test dipropyl ether did not biodegrade in 240 hours(9).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dipropyl ether, which has a vapor pressure of 62.5 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase dipropyl ether is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and nitrate radicals(SRC); half-lives for these reactions in air are estimated to be 21 hours and 4.9 days, respectively(3,4). Direct photolysis is not expected to be an important removal process since aliphatic ethers do not absorb light in the environmental UV spectrum(5).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation.
Signs and Symptoms · 3 件

Cough. Sore throat. Dizziness. Headache.

Redness. Pain. Dry skin.

Redness. Pain.

Soil Adsorption/Mobility · 1 件

Using a structure estimation method based on molecular connectivity indices(1), the Koc for dipropyl ether can be estimated to be about 15(SRC). According to a classification scheme(2), this estimated Koc value suggests that dipropyl ether is expected to have very high mobility in soil(SRC).

Artificial Pollution SourcesDipropyl ether can be used for the same purposes as diethyl ether(1), which is used primarily as a solvent(2). Dipropyl ether's use as a solvent may result in its release to the environment through various waste streams(SRC).

法規制情報

Regulatory Information · 4 件

Chemical: Propane, 1,1'-oxybis-

Propane, 1,1'-oxybis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propane, 1,1'-oxybis- 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)

Propane, 1,1'-oxybis-: HSNO Approval: HSR001139 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.)

安全データ

wgk
1
tsca
TSCA listed
rtecs
UJ5125000
ridadr
UN 2384
hs_code
29091990
risk_code
11-19-66-67

化学と産業

用途と製造

Uses · 2 件

Used as a solvent and chemical intermediate; [HSDB]

Propyl ether can be used for the same purposes as diethyl ether.

U.S. Production · 3 件

2023: 50,000 - <250,000 lb;2022: 250,000 - <550,000 lb;2021: 250,000 - <550,000 lb;2020: 550,000 - <1,000,000 lb

(1977) NOT PRODUCED COMMERCIALLY IN USA

(1979) NOT PRODUCED COMMERCIALLY IN USA

Industry UsesIntermediate
Methods of Manufacturing · 2 件

Di-n-propyl ether can be prepared from 1-propanol by dehydration with sulfuric acid.

Obtained by heating propyl alcohol with benzenesulfonic acid.

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Propane, 1,1'-oxybis-: ACTIVE

応用分野 · 4 件

用途溶剤、有機合成原料。

用途医薬品およびオレフィンの製造における重合触媒

使用Di-n-propyl ether, is used as a solvent and intermediate for organic chemical synthesis.

一般的な説明A colorless liquid with a strong odor. Less dense than water and slightly soluble in water. Flash point of 70°F. Vapors are heavier than air. In high concentrations the vapors may be narcotic.

調製方法

純化方法Purify the ether by drying with CaSO4, by passage through an alumina column (to remove peroxides), and by fractional distillation. [Beilstein 1 III 2146, 1 IV 1422.]

関連反応

10 件

関連ノート

読み込み中…