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エチレングリコールモノヘキシルエーテル

Glycol monohexyl ether

HCID 8170
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
112-25-4
標準SMILES
CCCCCCOCCO
InChIKey
UPGSWASWQBLSKZ-UHFFFAOYSA-N
分子式
C8H18O2
平均分子量
146.23 g/mol
単同位体質量
146.13067981

概要

See also: Hexan-1-ol, ethoxylated (annotation moved to); Hexyl poly(oxyethylene) ether (annotation moved to).

名称と識別子

優先名称
Glycol monohexyl ether
IUPAC
2-hexoxyethanol
現地名
エチレングリコールモノヘキシルエーテル
英語名
2-(Hexyloxy)ethanol
分子式
C8H18O2
分子量
146.23

名称と別名

2-(Hexyloxy)ethanol112-25-4Ethylene glycol monohexyl ether2-Hexyloxyethanol2-HEXOXYETHANOLEthanol, 2-(hexyloxy)-Hexyl cellosolven-Hexyl cellosolveGlycol monohexyl etherCellosolve, N-hexyl-Ethylene glycol n-hexyl etherEthanol, 2-hexyloxy-
名称をさらに表示
エチレングリコールモノヘキシルエーテルエチレングリコールn-ヘキシルエーテル2-ヘキシルオキシエタノールN-ヘキシルセロソルブヘキシルセロソルブエチレングルコールモノヘキシルエーテル3-オキサノナン-1-オール2-(ヘキシルオキシ)エタノールエチレングリコルモノヘキシルエテル2-(ヘキサン-1-イルオキシ)エタノール2‐ヘキシルオキシエタノールEthylenegylcolmono-N-hexyletherC6E1HEXYLGLYCOLhexylcellosolve2-hexyloxy-ethanon-hexyl-cellosolv
DTXSID1026908Ethylene glycol-n-monohexyl ether7P0O8282NRDTXCID606908EGHERefChem:922359203-951-12-(hexyloxy)ethan-1-ol

データベース識別子

CAS

物性

構造計算による物性

XLogP
1.9
極性表面積
29.5 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
7
重原子数
10
形式電荷
0
複雑度
55.2

実験および物理化学的性質

SolventsSolvents -> Glycol Ethers (E Series)
SpringerMaterials PropertiesBoiling point
LogP · 2 件

1.57

1.86

Density · 2 件

0.8894 @ 20 °C/20 °C

Relative density (water = 1): 0.89

Color/FormWATER-WHITE LIQ
Solubility · 2 件

SLIGHTLY SOL IN WATER; VERY SOL IN ALC & ETHER

Solubility in water: poor

Flash Point · 2 件

195 °F OC

81.7 °C c.c.

Boiling Point · 2 件

208 °C @ 760 MM HG

208.3 °C

Melting Point · 2 件

-45.1 °C

-45 °C

Vapor Pressure · 3 件

0.05 [mmHg]

0.05 MM HG @ 20 °C

Vapor pressure, Pa at 20 °C: 7

Refractive Index

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.2% (1 of 431) of reports.

Danger

H302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Regulatory Information · 6 件

Chemical: Poly(oxy-1,2-ethanediyl), .alpha.-hexyl-.omega.-hydroxy-

Chemical: Ethanol, 2-(hexyloxy)-

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

FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.

REACH registered substance: 2-hexyloxyethanol (EC: 203-951-1)

Ethylene glycol methyl ether: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2 件

IMAP assessments - Ethanol, 2-(hexyloxy)-: Environment tier I assessment

IMAP assessments - Ethoxylates of aliphatic alcohols (>C6): Human health tier II assessment

Fire HazardsCombustible. Above 81.7 °C explosive vapour/air mixtures may be formed.
Hazards SummaryMay cause CNS depression and kidney injury; [HSDB] A severe skin, eye, and respiratory tract irritant; The substance may have effects on the blood. [ICSC] An irritant; May be absorbed through skin; [MSDSonline] See GLYCOL ETHERS.

化学と産業

薬理情報

Absorption, Distribution and ExcretionTHESE ETHERS PENETRATE INTACT SKIN. /CELLOSOLVES/

用途と製造

Uses · 5 件

Used as a high-boiling solvent; as a chemical intermediate for hexyloxyethyl phosphate and neopentanoate; [HSDB] Used as a coalescing agent in latex paints and cleaners; [eChemPortal: SIDSUNEP]

Painting (Solvents) [Category: Paint]

HIGH-BOILING SOLVENT

SOLVENT (EG, FOR SURFACE COATINGS & CLEANING SOLNS)

CHEM INT FOR HEXYLOXYETHYL PHOSPHATE & NEOPENTANOATE

U.S. Exports · 2 件

(1979) No Data

(1981) No Data

U.S. Imports · 2 件

(1979) No Data

(1981) No Data

U.S. Production · 3 件

2023: 5,000,000 - <10,000,000 lb

(1979) No Data

(1981) No Data

Consumer UsesSolvent
Industry UsesSolvent
Methods of ManufacturingREACTION OF ETHYLENE OXIDE WITH 1-HEXANOL (PRODUCT IS ISOLATED FROM THE REACTION MIXT BY VACUUM DISTILLATION)
Household ProductsInformation on 83 consumer products that contain Ethylene glycol n-hexyl ether in the following categories is provided:
General Manufacturing Information · 3 件

All Other Chemical Product and Preparation Manufacturing

Ethanol, 2-(hexyloxy)-: ACTIVE

Poly(oxy-1,2-ethanediyl), .alpha.-hexyl-.omega.-hydroxy-: ACTIVE

関連反応

3 件
反応記録を作成
HRID 1384789 の反応式
HRID 1384789反応物としてuspto-grants-2001_07
HRID 1689605 の反応式
HRID 1689605反応物としてuspto-grants-2012_04
HRID 2120504 の反応式
HRID 2120504反応物としてuspto-grants-2004_02

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
112-25-4、31726-34-8
PubChem CID
8170
DTXSID
DTXSID1026908
ChEMBL
CHEMBL3188016
UNII
7P0O8282NR
EC Number
203-951-1
Nikkaji
J92.968I
INDEX OF REFRACTION: 1.4291 @ 20 °C/D
Physical Description · 3 件

Liquid

Colorless hygroscopic liquid; [CHEMINFO]

COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.

物理化学的性質

融点
-45.1 ℃ · -45.1℃
沸点
98 · 98-99°C 0,15mm
比重(密度)
0.888 g/mL · 0.888 g/mL at 20 °C(lit.)
蒸気圧
10 Pa · 10Pa at 20℃
屈折率
20 · n20/D 1.431
闪点
98 · 98-99°C/0.15mm
貯蔵温度
-15 °C · -15°C
外見
clear liquid
酸解離定数(Pka)
14.44 · 14.44±0.10(Predicted)
色
Colorless to Light yellow
水溶解度
アルコールおよびエーテル、水 (9.46 g/L) に可溶。
BRN
1734691 · 1734691
Henry's Law Constant
3.2 · 3.2×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
化粧品成分の機能
溶媒
InChI
1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3
InChIKey
UPGSWASWQBLSKZ-UHFFFAOYSA-N
SMILES
CCCCCCOCCO || CCCCCCOCCO
LogP
1.97 at · 1.97 at 25℃
CAS データベース
112 · 112-25-4(CAS DataBase Reference)
EPAの化学物質情報
Ethylene glycol monohexyl ether (112-25-4)

化学的性質

化学的特性Colorless liquid

EC ClassificationSymbol: C; R: 21/22-34; S: (1/2)-26-36/37/39-45
Chemical DangersThe substance can presumably form explosive peroxides. Reacts violently with strong oxidants.
Physical DangersThe vapour is heavier than air.
Hazard Classes and Categories · 6 件

Acute Tox. 4 (99.5%)

Acute toxicity - category 4

Acute toxicity (ingestion) - category 4

Skin corrosion/irritation - Category 2

Flammable liquids - Category 4

Acute Tox. 4 *

Explosive Limits and PotentialExplosive limits , vol% in air: 1.2-8.1

安全と保護具

Fire FightingUse water spray, powder, foam, carbon dioxide. 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 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. Refer for medical attention .

Safe StorageSeparated from strong oxidants.
Spillage DisposalPersonal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible.
Eye PreventionWear safety goggles.
Fire PreventionNO open flames. Above 81.7 °C use a closed system and ventilation.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionSTRICT HYGIENE!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation, local exhaust or breathing protection.
Effects of Long Term ExposureThe substance may have effects on the blood.

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion.
Signs and Symptoms · 4 件

Cough. Sore throat. Burning sensation. Shortness of breath.

MAY BE ABSORBED! Redness. Pain.

Redness. Pain.

Abdominal pain. Nausea. Vomiting. Diarrhoea.

Human Toxicity Excerpts · 2 件

CENTRAL NERVOUS DEPRESSION AS WITH ETHYLENE GLYCOL, BUT THE ETHER DERIVATIVES PRODUCE MORE MARKED KIDNEY INJURY & HEMATURIA (APPARENTLY WITHOUT OXALIC ACID FORMATION OR CRYSTALLURIA). /CELLOSOLVES/

ACUTE TOXICITIES ARE SEVERAL TIMES GREATER THAN THAT OF ETHYLENE GLYCOL IN ANIMALS (CLINICAL DATA ARE INADEQUATE FOR VALID COMPARISONS). ETHER LINKAGE IS SUPPOSEDLY STABLE IN VIVO. /CELLOSOLVES/

Non-Human Toxicity Excerpts · 1 件

IT IS SEVERELY INJURIOUS TO EYE...CAUSING SEVERE RABBIT EYE IRRITATION & MARKED CORNEAL DAMAGE, BUT IT IS ESSENTIALLY NONIRRITATING TO THE SKIN OF RABBITS. HOWEVER, IT IS MODERATE IN TOXICITY BY SKIN ABSORPTION... BECAUSE OF ITS LOW VOLATILITY, RATS EXPOSED TO ESSENTIALLY SATURATED VAPORS WERE NOT SIGNIFICANTLY AFFECTED.

Probable Routes of Human Exposure · 1 件

...ETHYLENE GLYCOL-N-MONOHEXYL ETHER SHOULD BE HANDLED WITH GREAT CARE TO PREVENT EYE CONTACT & TO AVOID SKIN CONTACT BECAUSE OF ITS TOXICITY BY ABSORPTION. UNTIL MORE IS KNOWN IT WOULD SEEM WISE ALSO TO AVOID REPEATED EXPOSURE TO ITS VAPORS.

Toxicity DataLC (rat) > 83 ppm/4h

安全データ

F
10-23
wgk
1
tsca
TSCA listed
rtecs
KL2450000
ridadr
UN 2922 8/PG 3
hs_code
29091990
risk_code
21/22-34
化審法
(2)-2424, (7)-97
消防法
危-4-3-III
hazard_code
C
safety_code
26-36/37/39-45
hazard_class
6.1
packing_group
III
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 4 OralSkin Corr. 1B
ストレージクラス
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
有毒物質データの
112-25-4(Hazardous Substances Data)

応用分野

用途溶剤 、化学品合成中間原料

使用High-boiling solvent.

上流・下流製品情報

上流原料

1-ブロモヘキサン酸化エチレン1-ヘキサノールフタルイミドカリウムエチレングリコールヘキサナール