二乙二醇单己醚

Diethylene glycol monohexyl ether

HCID 8199CAS 112-59-4

基本信息

标准SMILES
CCCCCCOCCOCCO
InChIKey
GZMAAYIALGURDQ-UHFFFAOYSA-N
分子式
C10H22O3
平均分子量
190.28 g/mol
单同位素质量
190.15689456

概述

Diethylene glycol n-hexyl ether is a water-white liquid. (USCG, 1999)

名称与标识

首选名称
Diethylene glycol monohexyl ether
IUPAC
2-(2-hexoxyethoxy)ethanol
中文名
二乙二醇单己醚
英文名
2-(2-HEXYLOXYETHOXY)ETHANOL
分子式
C10H22O3
分子量
190.28

名称与别名

Diethylene glycol monohexyl ether112-59-4Hexyl carbitol2-(2-(hexyloxy)ethoxy)ethanolHexol carbitoln-Hexyl carbitoln-Hexoxyethoxyethanol3,6-Dioxadodecanol-1HexylkarbitolDiethylene glycol n-hexyl etherDIETHYLENE GLYCOL HEXYL ETHEREthanol, 2-[2-(hexyloxy)ethoxy]-
展开更多名称
己基卡必醇二甘醇己基醚二乙二醇己醚二乙二醇一己醚二乙二醇单己醚二甘醇单己基醚二乙二醇单正己醚二乙二醇单己醚/GC二乙二醇单正己醚,97%二乙二醇单己醚, 试剂级HEDGdeghe2-(2-N-HEXYLOXYETHOXY)ETHANOLC6E2hexyldigolNSC 403666hexylcarbitolHEXYLDIGLYCOL
2-[2-(hexyloxy)ethoxy]ethanolDiethylene glycol mono(n-hexyl) etherEthanol, 2-((2-hexyloxy)ethoxy)-2-((2-Hexyloxy)ethoxy)ethanolDTXSID40269213,6-Dioxa-1-dodecanolEthanol, 2-(2-(hexyloxy)ethoxy)-Z6X09N6YJL

数据库标识

CAS
112-59-4
PubChem CID
8199
DTXSID
DTXSID4026921
ChEMBL
CHEMBL2131110
UNII
Z6X09N6YJL
EC Number
203-988-3
Nikkaji
J36.821K

性质

结构计算性质

XLogP
1.7
极性表面积
38.7 Ų
氢键供体
1
氢键受体
3
可旋转键
10
重原子
13

实验与物化性质

SolventsSolvents -> Glycol Ethers (E Series)
SpringerMaterials PropertiesBoiling point
LogP · 3 条

log Kow = 1.70

1.70

1.7

Density · 4 条

0.9346 at 68 °F (USCG, 1999) - Less dense than water; will float

0.9346 at 25 °C/4 °C

Relative density (water = 1): 0.935

0.935 @25 °C

Viscosity8.6 cP at 20 °C
Color/FormWater-white liquid

物理化学性质

熔点
-40 °C · -40 °C (lit.)
沸点
260 °C · 260 °C (lit.)
密度
0.935 g/mL · 0.935 g/mL at 25 °C (lit.)
蒸气压
0.01 hPa · <0.01 hPa (20 °C)
折射率
20 · n20/D 1.4381(lit.)
闪点
230 °F · >230 °F

安全与法规

GHS分类

GHS Classification · 6 条

Danger

H312: Harmful in contact with skin [Warning Acute toxicity, dermal]

P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P362+P364, and P501 (click each P-code to see the statement)

Danger

H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

危害信息

Regulatory Information · 4 条

Chemical: Ethanol, 2-[2-(hexyloxy)ethoxy]-

Ethanol, 2-[2-(hexyloxy)ethoxy]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-[2-(hexyloxy)ethoxy]- 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)

REACH registered substance: 2-(2-hexyloxyethoxy)ethanol (EC: 203-988-3)

Diethylene glycol mono-N-hexyl ether: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Ethoxylates of aliphatic alcohols (>C6): Human health tier II assessment
Fire Hazards · 2 条

Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. (USCG, 1999)

Combustible.

Fire PotentialCombustible
Health HazardsExposure can cause irritation of eyes, nose and throat. (USCG, 1999)
Hazards Summary · 1 条

A skin and eye irritant; [CAMEO] Acute health effects are not expected unless workers are exposed to mist or heated liquid; [CHEMINFO] Dermal LD50 (rabbits) = 2000 mg/kg; In oral or dermal doses > 800-1000 mg/kg/day, causes CNS depression, liver and kidney injury, but no significant developmental toxicity; No effects on fertility at 1000 mg/kg/day; [Reference #1] See GLYCOL ETHERS.

安全与防护

Fire Fighting · 2 条

Fire Extinguishing Agents Not to Be Used: Water.

Use water spray, powder, foam, carbon dioxide.

First Aid Measures · 4 条

Fresh air, rest.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

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

Rinse mouth. Give one or two glasses of water to drink.

First AidGet medical attention.
Safe StorageSeparated from strong oxidants.
Disposal Methods · 1 条

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Spillage DisposalVentilation. Collect leaking and spilled liquid in sealable containers as far as possible. Personal protection: face shield.

毒理信息

Environmental Fate · 3 条

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a log Kow of 1.70(2) and a regression-derived equation(3), indicates that diethylene glycol hexyl ether is expected to have moderate mobility in soil(SRC). Volatilization of diethylene glycol hexyl ether from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.7X10-8 atm-cu m/mole(SRC), derived from its vapor pressure, 1.18X10-3 mm Hg(4), and water solubility, 1.7X10+4 mg/L(5). Diethylene glycol hexyl ether is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). Biodegradation of diethylene glycol hexyl ether may take place based on a study using pure culture Pseudomonas sp 4-5-3 which degraded diethylene glycol hexyl ether 34% in 7 days at 30 °C(6).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a log Kow of 1.70(2) and a regression-derived equation(3), indicates that diethylene glycol hexyl ether is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 1.7X10-8 atm-cu m/mole(SRC), derived from its vapor pressure, 1.18X10-3 mm Hg(4), and water solubility, 1.7X10+4 mg/L(5). According to a classification scheme(6), an estimated BCF of 4(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation of diethylene glycol hexyl ether may take place based on a study using pure culture Pseudomonas sp 4-5-3 which degraded diethylene glycol hexyl ether 34% in 7 days at 30 °C(8).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), diethylene glycol hexyl ether, which has an estimated vapor pressure of 1.18X10-3 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase diethylene glycol hexyl ether is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 9.5 hours(SRC), calculated from its rate constant of 4.0X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Alcohols and ethers do not contain chromophores that absorb at wavelengths >290 nm and therefore diethylene glycol hexyl ether is not expected to be susceptible to direct photolysis by sunlight(4).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body through the skin.
Signs and Symptoms · 3 条

Redness. Pain.

Redness. Pain.

Abdominal pain. Nausea. Vomiting. Diarrhoea.

Soil Adsorption/Mobility · 1 条

The Koc of diethylene glycol hexyl ether is estimated as 200(SRC), using a log Kow of 1.70(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diethylene glycol hexyl ether is expected to have moderate mobility in soil(SRC).

Human Toxicity Excerpts · 3 条

/SIGNS AND SYMPTOMS/ IT IS MILDLY TO MODERATELY IRRITATING TO THE SKIN BUT SHOULD CAUSE NO SERIOUS INJURY UNLESS THE EXPOSURE IS PROLONGED & SEVERE.

/SIGNS AND SYMPTOMS/ 1. CENTRAL NERVOUS DEPRESSION... 3. NAUSEA, VOMITING, & SOMETIMES DIARRHEA. 4. ...HEADACHE. LATER ABDOMINAL & LUMBAR PAIN & COSTOVERTEBRAL ANGLE TENDERNESS. 5. TRANSIENT POLYURIA & THEN OLIGURIA, PROGRESSING TO ANURIA. 6. ACUTE RENAL FAILURE... /DIETHYLENE GLYCOL & ITS MONOETHERS/

/SIGNS AND SYMPTOMS/ ... PATHOLOGICAL LESIONS MAY APPEAR IN BRAIN, LUNGS, LIVER, MENINGES & HEART. /DIETHYLENE GLYCOL & ITS MONOETHERS/

安全数据

wgk
1
tsca
TSCA listed
毒性
LD50 orally in Rabbit: 2400 mg/kg LD50 dermal Rabbit 1395 mg/kg
RTECS号
KL2625000
存储类别
10 - Combustible liquids
安全说明
26-36/37-46-36/37/39

化学与工业

用途与制造

Uses · 4 条

Used as a solvent for coatings and degreasing; [HSDB]

Metal Degreasing [Category: Clean]

High-boiling solvent

SOLVENT (EG, FOR SURFACE COATINGS & CLEANING SOLNS)

U.S. Production · 6 条

2023: 1,000,000 - <8,500,000 lb

(1979) PROBABLY GREATER THAN 4.54X10+6 GRAMS

(1981) PROBABLY GREATER THAN 4.54X10+6 GRAMS

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5440]

(2006): 1,612 million lb annual capacity /Glycol ethers/

This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

Consumer UsesSolvent
Industry UsesIntermediate
Methods of Manufacturing · 2 条

REACTION OF ETHYLENE OXIDE WITH 1-HEXANOL (PRODUCT IS ISOLATED FROM THE REACTION MIXT BY VACUUM DISTILLATION); REACTION OF DIETHYLENE GLYCOL WITH 1-HEXANOL

Ethylene glycol monoethers are usually produced by reaction of ethylene oxide with the appropriate alcohol. A mixture of homologues is obtained ... The glycol monoethers can be converted to diethers by alkylation with common alkylating agents, such as dimethyl sulfate or alkyl halides ( Williamson synthesis). Glycol dimethyl ethers are formed by treatment of dimethyl ether with ethylene oxide. /Ethylene Glycol Monoethers/

Household ProductsInformation on 2 consumer products that contain Diethylene glycol monohexyl ether in the following categories is provided:

应用领域

用途二乙二醇单己醚为醚类衍生物,可用作真漆、油漆、树脂、染料、油类和润滑油的溶剂,也用作偶合和分散剂。

制备方法 · 1 条

制备先将二乙二醇单己醚与氢氧化钠反应制得醇钠,制成的醇钠以四丁基溴化铵作相转移催化剂,再在氯甲烷的作用下进行合成反应,生成二乙二醇甲己醚,具体操作如下。向装有温度计、回流冷凝器和搅拌器的四颈烧瓶中加入70g的二乙二醇单己醚(C10H22O3),再加入一定摩尔比的碱,搅拌下加入一定比例的催化剂四丁基溴化铵(C16H36BrN)。打开Y型连接管和储罐的阀门,通氯甲烷并将温度升至反应温度,进行醚缩合反应,反应时间3.5h。在实验过程中,记录通气时的温度、阀门开度的大小,同时要记录各个时间段的实验现象。反应结束后,加入40mL水进行水洗,搅拌的同时并通过外界水浴降温,温度降至常温后,停止搅拌,静置一会,用胶头滴管取上层澄清液于样品瓶中,通过岛津CC-14B气相色谱仪打气相色谱,根据气相色谱,用面积归一法计算二乙二醇单己醚的转化率。

上下游产品信息

试剂价格

B20774 · 500ml
二乙二醇单正己醚, 97% Diethylene glycol mono-n-hexyl ether, 97% — 335元
D0501 · 25ML
二乙二醇单己醚Diethylene Glycol Monohexyl Ether — 130元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

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