ジエチレングリコールモノヘキシルエーテル

Diethylene glycol monohexyl ether

HCID 8199CAS 112-59-4

基本情報

標準SMILES
CCCCCCOCCOCCO
InChIKey
GZMAAYIALGURDQ-UHFFFAOYSA-N
分子式
C10H22O3
平均分子量
190.28 g/mol
単同位体質量
190.15689456

概要

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

名称と識別子

優先名称
Diethylene glycol monohexyl ether
IUPAC
2-(2-hexoxyethoxy)ethanol
現地名
ジエチレングリコールモノヘキシルエーテル
英語名
2-(2-HEXYLOXYETHOXY)ETHANOL
分子式
C10H22O3
分子量
190.28

名称と別名

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]-
名称をさらに表示
ジエチレングリコールモノヘキシルエーテルジエチレングリコールモノ-n-ヘキシルエーテル2-(2-ヘキシルオキシエトキシ)エタノール2[2(ヘキシルオキシ)エトキシ]エタノルヘキシルカルビトール2-[2-(ヘキサン-1-イルオキシ)エトキシ]エタノール2-[2-(ヘキシルオキシ)エトキシ]エタノールジエチレングリコールモノヘキシルエーテル 2-(2-ヘキシルオキシエトキシ)エタノールヘキシルカルビトール2-(ヘキシルオキシエトキシ)エタノールジエチレングリコールヘキシルエーテルジエチレングリコールヘキシルエーテル STANDARDジ(エチレングリコール)ヘキシルエーテルジエチレングリコールヘキシルエーテル Standard, 1000 µg/mL in THF (anhydrous)ジエチレングリコールヘキシルエーテル, 1000 µg/mL in THF (anhydrous)ジエチレングリコールモノ-n-ヘキシルエーテル, 97%3,6-ジオキサドデカン-1-オール2-[2-(ヘキシルオキシ)エトキシ]エタン-1-オールジエチレングリコールn-ヘキシルエーテル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

データベース識別子

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

物性

構造計算による物性

XLogP
1.7
極性表面積
38.7 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
10
重原子数
13

実験および物理化学的性質

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

log Kow = 1.70

1.70

1.7

Density · 4 件

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

物理化学的性質

融点
-40 °C · -40 °C (lit.)
沸点
260 °C · 260 °C (lit.)
比重(密度)
0.935 g/mL · 0.935 g/mL at 25 °C (lit.)
蒸気圧
0.01 hPa · <0.01 hPa (20 °C)
屈折率
20 · n20/D 1.4381(lit.)
闪点
230 °F · >230 °F

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 4 件

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 件

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 件

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.

安全と保護具

Fire Fighting · 2 件

Fire Extinguishing Agents Not to Be Used: Water.

Use water spray, powder, foam, carbon dioxide.

First Aid Measures · 4 件

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 件

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.

毒性情報

Environmental Fate · 3 件

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 件

Redness. Pain.

Redness. Pain.

Abdominal pain. Nausea. Vomiting. Diarrhoea.

Soil Adsorption/Mobility · 1 件

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 件

/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/

安全データ

wgk
1
tsca
TSCA listed
rtecs
KL2625000
毒性
LD50 orally in Rabbit: 2400 mg/kg LD50 dermal Rabbit 1395 mg/kg
hs_code
29094400
risk_code
21-41-38

化学と産業

用途と製造

Uses · 4 件

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 件

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 件

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:
応用分野 · 4 件

用途洗浄剤 , 中間体、繊維用添加剤、その他有機化学製品、油用添加剤

用途高沸点溶剤。

使用Used as a solvent for coatings and degreasing.

一般的な説明Water-white liquid.

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