基本情報
- 標準SMILES
CC(C)OCCO- InChIKey
HCGFUIQPSOCUHI-UHFFFAOYSA-N- 分子式
- C5H12O2
- 平均分子量
- 104.15 g/mol
- 単同位体質量
- 104.08372962
概要
Ethylene glycol isopropyl ether appears as a clear liquid. An irritant.
名称と識別子
- 優先名称
- Isopropylethanediol
- IUPAC
- 2-propan-2-yloxyethanol
- 現地名
- エチレングリコールモノイソプロピルエーテル
- 英語名
- 2-Isopropoxyethanol
- 分子式
- C5H12O2
- 分子量
- 104.15
名称と別名
名称をさらに表示
データベース識別子
- CAS
109-59-1- PubChem CID
- 7996
- DTXSID
DTXSID4047466- ChEMBL
CHEMBL3187409- UNII
- 9L4RL5EKZC
- EC Number
- 203-685-6
- Nikkaji
- J82.343K
物性
構造計算による物性
- XLogP
- 0.1
- 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
- 3
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 35.1
実験および物理化学的性質
LogP
0.05
0.05
Odor
MILD ETHEREAL ODOR
Mild, ethereal odor.
Density
0.91 (USCG, 1999) - Less dense than water; will float
0.9030 @ 20 °C/4 °C
Relative density (water = 1): 0.903 (20 °C)
0.90
Color/Form
COLORLESS LIQUID
Colorless liquid.
Solubility
Miscible (NIOSH, 2024)
SOL IN ALL PROP IN WATER, ALC, ETHER; SOL IN ACETONE
Solubility in water, g/100ml at 25 °C: 100
Miscible
Flash Point
91.4 °F (USCG, 1999)
33 °C
92 °F (33 °C) OC
44 °C c.c.
(oc) 92 °F
Boiling Point
285.8 °F at 760 mmHg (USCG, 1999)
144 °C @ 743 MM HG
at 99kPa: 139.5-144.5 °C
283 °F
物理化学的性質
- 融点
- -60 °C · -60 °C
- 沸点
- 42 · 42-44 °C13 mm Hg(lit.)
- 比重(密度)
- 0.903 g/mL · 0.903 g/mL at 25 °C(lit.)
- 蒸気圧
- 5.99 hPa · 5.99 hPa (25 °C)
- 屈折率
- 20 · n20/D 1.41(lit.)
- 闪点
- 114 °F · 114 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 100 g/l · >100g/l 可溶
- 酸解離定数(Pka)
- 14.47 · 14.47±0.10(Predicted)
- 外見
- 液体
- 色
- Colorless to Almost colorless
- 爆発限界(explosive limit)
- 1.6 · 1.6-13.0%(V)
- 水溶解度
- 水に溶けます。
- BRN
- 1732184 · 1732184
- Henry's Law Constant
- 4.8 · 4.8×100 mol/(m3Pa) at 25℃, Johanson and Dynésius (1988)
- 安定性
- 安定。強力な酸化剤とは相容れない。可燃性。
- InChI
- 1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
- InChIKey
- HCGFUIQPSOCUHI-UHFFFAOYSA-N
- SMILES
- CC(C)OCCO
- LogP
- 0.43 at · 0.43 at 20℃
- CAS データベース
- 109 · 109-59-1(CAS DataBase Reference)
- EPAの化学物質情報
- Isopropoxyethanol (109-59-1)
化学的性質
化学的特性colourless liquid
安全と法規制
GHS分類
GHS Classification
Warning
H312: Harmful in contact with skin [Warning Acute toxicity, dermal]
P261, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.2% (1 of 648) of reports.
Warning
H226 (41.7%): Flammable liquid and vapor [Warning Flammable liquids]
危険有害性情報
Regulatory Information
Chemical: Ethanol, 2-(1-methylethoxy)-
Status: Active Update: 07-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12659
Ethanol, 2-(1-methylethoxy)-: HSNO Approval: HSR001158 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.)
Fire Hazards
Special Hazards of Combustion Products: Emits toxic fumes when heated upon decomposition. (USCG, 1999)
Flammable. Above 44 °C explosive vapour/air mixtures may be formed.
Reactivity Profile
ETHYLENE GLYCOL ISOPROPYL ETHER acts both as an alcohol and ether. May react violently with strong oxidizing agents. May generate flammable and/or toxic gases with alkali metals, nitrides, and other strong reducing agents. May initiate the polymerization of isocyanates and epoxides.
安全と保護具
Fire Fighting
Fire Extinguishing Agents: Water, carbon dioxide, dry chemical, alcohol foam. (USCG, 1999)
Use water spray, powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
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 Aid
Excerpt from NIOSH Pocket Guide for 2-Isopropoxyethanol:
(General first aid procedures)
Spillage Disposal
Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Remove all ignition sources. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible.
Preventive Measures
SEE ETHERS. ONLY ELECTRICAL EQUIPMENT OF EXPLOSION-PROOF TYPE (GROUP C CLASSIFICATION) IS PERMITTED TO BE OPERATED IN ETHER AREAS. /ETHERS/
...ADVISABLE TO PROTECT PERSONNEL BY ENCLOSING PROCESS OR PROVIDING LOCAL EXHAUST VENTILATION. MAIN HAZARD...THAT OF INGESTION, CAN USUALLY BE PREVENTED BY KEEPING /CHEM/ IN PROPERLY LABELLED CONTAINERS. /GLYCOL & DERIV/
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet should be immediately removed due to its flammability hazard.
毒性情報
Exposure Routes
The substance can be absorbed into the body by inhalation of its vapour and through the skin.
inhalation, skin absorption, ingestion, skin and/or eye contact
Signs and Symptoms
Cough.
MAY BE ABSORBED! Redness.
Redness. Pain.
Nausea.
In Animals: irritation eyes, skin; hematuria (blood in the urine), anemia, pulmonary edema
Human Toxicity Excerpts
SYMPTOMATOLOGY: 1. CENTRAL NERVOUS DEPRESSION CHARACTERIZED BY TRANSIENT EXHILARATION, DRUNKENNESS, ATAXIA, VERTIGO PROGRESSING TO STUPOR &...COMA, WITH OR WITHOUT TRANSIENT PERIOD OF CONVULSIONS. DEATH FROM RESP ARREST OR...CARDIOVASCULAR COLLAPSE... /ETHYLENE GLYCOL/
SYMPTOMATOLOGY: 2. NAUSEA, VOMITING, ABDOMINAL PAIN, DEHYDRATION, WEAKNESS, MUSCLE TENDERNESS. 3. HYPERPNEA MAY INDICATE EITHER SEVERE METABOLIC ACIDOSIS OR PULMONARY EDEMA. 4. ...CARPOPEDAL SPASM OR OTHER SIGNS OF HYPOCALCEMIC TETANY. /ETHYLENE GLYCOL/
SYMPTOMATOLOGY: 5. LUMBAR PAIN, ALBUMINURIA, HEMATURIA, OLIGURIA PROGRESSING TO ANURIA. 6. ACUTE RENAL FAILURE WITH UREMIA, PERIPHERAL EDEMA, ASCITES, PULMONARY EDEMA, DROWSINESS, CYANOSIS, COMA, & DEATH IN 7 TO 10 DAYS. /ETHYLENE GLYCOL/
SEE GLYCOLS. THERE IS SOME EVIDENCE THAT THE GLYCOL ETHERS ARE MORE TOXIC THAN OTHER MEMBERS OF THE GLYCOL GROUP. /GLYCOLS/
For more Human Toxicity Excerpts (Complete) data for ISOPROPOXYETHANOL (7 total), please visit the HSDB record page.
Non-Human Toxicity Excerpts
THE MATERIAL IS APPRECIABLY IRRITATING TO EYES OF RABBITS CAUSING INJURY TO CONJUNCTIVAL MEMBRANES, CORNEA, &...SOME IRITIS. HEALING APPEARED TO BE COMPLETE WITHIN A WEEK.
THE MATERIAL IS NOT APPRECIABLE IRRITATING TO THE SKIN UNDER ORDINARY CONDITIONS OF EXPOSURE, BUT IF IT IS CONFINED FOR PROLONGED PERIODS, IT MAY CAUSE APPRECIABLE IRRITATION, EVEN A BURN. ...THE MATERIAL MAY READILY BE ABSORBED THROUGH THE INTACT SKIN IN LETHAL AMT.
FOUR/FOUR RATS DIED DURING 7 HR OF EXPOSURE TO VAPORS AT ESSENTIALLY SATURATED CONCN, AT 100 °C & COOLED TO ROOM TEMP. AFTER 3 HR, BLOOD APPEARED IN URINE; 1 RAT AUTOPSIED AFTER EXPOSURE HAD BLACK & SEVERELY ENLARGED KIDNEYS. /FROM TABLE/
TWO/THREE RATS DIED DURING 4 HR OF EXPOSURE TO VAPORS AT ESSENTIALLY SATURATED CONCN. BLOODY URINE WAS PASSED IMMEDIATELY AFTER EXPOSURE. THERE WAS EXCESS URINE. THREE DAYS AFTER EXPOSURE THE KIDNEYS WERE SEVERELY NECROTIC AND DARK IN COLOR. /FROM TABLE/
For more Non-Human Toxicity Excerpts (Complete) data for ISOPROPOXYETHANOL (10 total), please visit the HSDB record page.
Probable Routes of Human Exposure
NO REPORTS OF ADVERSE EFFECTS FROM THE HANDLING OR USE OF ETHYLENE GLYCOL MONOISOPROPYL ETHER HAVE BEEN MADE. ...THIS MAY BE BECAUSE OF ITS LIMITED USE TO DATE.
...NO DATA AVAILABLE THAT WOULD ALLOW THE ESTABLISHMENT OF A HYGIENIC STANDARD FOR REPEATED EXPOSURE TO VAPORS. IN VIEW OF HIGH TOXICITY.../TO/ ANIMALS, IT WOULD SEEM...PRUDENT TO TAKE PARTICULAR CARE TO PREVENT ALL POSSIBLE EXPOSURE OF HUMAN BEINGS TO THIS MATERIAL...
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- KL5075000
- ridadr
- UN 2929 6.1/PG 2
- 毒性
- LD50 orally in Rabbit: 5111 mg/kg LD50 dermal Rabbit 1445 mg/kg
- hs_code
- 2909 44 00
- risk_code
- 20/21-36
- 化審法
- (2)-410, (2)-2424 優先評価化学物質
- 安衛法
- 57,57-2
- 消防法
- 危-4-2-III
- hazard_code
- Xn
- safety_code
- 24/25
- hazard_class
- 3
- packing_group
- III
- 自然発火温度
- 240 °C
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Flam. Liq. 3Skin Irrit. 2
- ストレージクラス
- 3 - Flammable liquids
- 有毒物質データの
- 109-59-1(Hazardous Substances Data)
化学と産業
薬理情報
Absorption, Distribution and Excretion
THE MATERIAL MAY READILY BE ABSORBED THROUGH THE INTACT SKIN...
WITHIN 24 HR AFTER (14)C-LABELED ISOPROPYL OXITOL (0.993 MG, IP) ADMIN 71% OF THE RADIOACTIVITY HAD BEEN EXCRETED IN THE URINE & 9% IN THE EXPIRED AIR.
用途と製造
Uses
Used as a solvent, particularly in paints and lacquers; [ACGIH]
Painting (Solvents) [Category: Paint]
COMPONENT OF LACQUERS & OTHER COATINGS; AS SOLVENT FOR RESINS; DYES FOR TEXTILES
Methods of Manufacturing
...MONOALKYL ETHERS ARE USUALLY PRODUCED BY REACTING ETHYLENE OXIDE WITH ALCOHOL OF CHOICE.../OR/ BY DIRECT ALKYLATION OF...GLYCOL WITH AN ALKYLATING AGENT...AB BOESE JR ET AL IN GURME & JOHNSTON, EDITORS, GLYCOLS (AMER CHEM SOC MONOGRAPH, SERIES 114) REINHOLD, NY, 1952.
General Manufacturing Information
Ethanol, 2-(1-methylethoxy)-: ACTIVE
IN THE PRESENCE OF GLUCOSE, 10% 2-ISOPROPOXYETHANOL PREVENTED SPORE GERMINATION & MYCELIAL GROWTH OF C RESINAE, A PROBLEM ORGANISM IN JET FUEL.
応用分野
用途香水, (セルローズ誘導体、樹脂、油脂類)(GANGOLLI (2ND, 1999))塗料用溶剤
使用2-Isopropoxyethanol was used to study the products of the gas-phase reactions of OH radical with n-butyl methyl ether and 2-isopropoxyethanol in the presence of NO. 2-Isopropoxyethanol was used to develop methodology for evaluating electromagnetic sensor performance in nonrelaxing and nonconducting (e.g., sandy soil) media
一般的な説明A clear liquid. Density 0.903 g / cm3. Flash point 114°F. An irritant.
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