기본 정보
- 표준 SMILES
CC(C)OCC1CO1- InChIKey
NWLUZGJDEZBBRH-UHFFFAOYSA-N- 분자식
- C6H12O2
- 평균 분자량
- 116.16 g/mol
- 단동위원소 질량
- 116.08372962
이름 및 식별자
- 우선 이름
- 2-((1-Methylethoxy)methyl)oxirane
- IUPAC
- 2-(propan-2-yloxymethyl)oxirane
- 현지명
- 이소프로필글리시딜에테르
- 영어명
- Glycidyl isopropyl ether
- 분자식
- C6H12O2
- 분자량
- 116.16
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
4016-14-2- PubChem CID
- 19920
- DTXSID
DTXSID6025480- ChEMBL
CHEMBL1487011- UNII
- 1V3116630G
- EC Number
- 223-672-9
- Nikkaji
- J35.468F
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 21.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 70
실험 및 물리화학적 성질
Density
0.92 (USCG, 1999) - Less dense than water; will float
0.9186 @ 20 °C/4 °C
Relative density (water = 1): 0.92
0.92
0.92
Color/Form
MOBILE, COLORLESS LIQUID
Colorless liquid.
Solubility
greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)
18.8% IN WATER, SOL IN KETONES & ALCOHOLS
Solubility in water, g/100ml: 19
19%
Flash Point
92 °F (NTP, 1992)
33 °C
33 °C c.c.
92 °F
92 °F
Boiling Point
261 °F at 760 mmHg (NTP, 1992)
137 °C @ 760 MM HG
137 °C
261 °F
279 °F
Vapor Density
4.15 (AIR= 1)
Relative vapor density (air = 1): 4.15
Vapor Pressure
9.4 mmHg at 77 °F (NTP, 1992)
9.4 [mmHg]
9.4 MM HG @ 25 °C
Vapor pressure, kPa at 25 °C: 1.25
9 mmHg at 77 °F
(77 °F): 9 mmHg
Physical Description
Isopropyl glycidyl ether is a colorless liquid. (USCG, 1999)
Colorless liquid; [NIOSH]
COLOURLESS LIQUID.
Colorless liquid.
Colorless liquid.
물리화학적 성질
- 끓는 점
- 131 · 131-132 °C (lit.)
- 밀도
- 0.924 g/mL · 0.924 g/mL at 25 °C (lit.)
- 증기압
- 13 hPa · 13 hPa (25 °C)
- 굴절률
- 20 · n20/D 1.410(lit.)
- 인화점
- 92 °F · 92 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 188 g/L · 188g/L
- 물리적 상태
- 무색의 액체
- 색상
- 무색 내지 거의 무색
- 수소이온지수(pH)
- 7 · 7 (188g/l, H2O, 20℃)
- 수용성
- 19 g/L · 19g/L at 25℃
- BRN
- 103028 · 103028
- 안정성
- 안정적인. 가연성. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3
- InChIKey
- NWLUZGJDEZBBRH-UHFFFAOYSA-N
- SMILES
- CC(C)OCC1CO1
- LogP
- 0.8 at · 0.8 at 25℃
- EPA
- Isopropyl glycidyl ether (4016-14-2)
화학적 성질
colourless liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (95.1%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (92.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.
Status: Active Update: 25-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23504
Isopropyl glycidyl ether IGE: Does not have an individual approval but may be used under an appropriate group standard
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: Toxic vapors and gases, such as carbon monoxide, may be released in a fire.;Behavior in Fire: Vapors can flow along surfaces to remote ignition source and flash back. (USCG, 1999)
Flammable. Above 33 °C explosive vapour/air mixtures may be formed.
Reactivity Profile
Ethers can act as bases. They form salts with strong acids and addition complexes with Lewis acids. The complex between diethyl ether and boron trifluoride is an example. Ethers may react violently with strong oxidizing agents. In other reactions, which typically involve the breaking of the carbon-oxygen bond, ethers are relatively inert.
안전 및 보호
Fire Fighting
Fire Extinguishing Agents Not to Be Used: Water.;Fire Extinguishing Agents: Dry chemical, carbon dioxide or alcohol foam. (USCG, 1999)
Use powder, AFFF, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
Fresh air, rest. Half-upright position. 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. Give one or two glasses of water to drink.
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
(General first aid procedures);Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.;Skin: Soap wash immediately - If this chemical contacts the skin, immediately wash the contaminated skin with soap and water. If this chemical penetrates the clothing, immediately remove the clothing, wash the skin with soap and water, and get medical attention promptly.;Breathing: Respiratory support;Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Spillage Disposal
Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Carefully collect remainder. Then store and dispose of according to local regulations.
Preventive Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
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.
Isolation and Evacuation
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.;LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
독성 정보
Exposure Routes
The substance can be absorbed into the body by inhalation of its vapour.
inhalation, ingestion, skin and/or eye contact
Signs and Symptoms
Burning sensation. Cough. Dizziness. Headache. Laboured breathing. Shortness of breath. Sore throat. Symptoms may be delayed.
Redness. Pain.
Redness. Pain.
irritation eyes, skin, upper respiratory system; skin sensitization; possible hematopoietic, reproductive effects
Human Toxicity Excerpts
NO UNTOWARD EFFECTS REPORTED OTHER THAN SLIGHT SKIN IRRITATION ON REPEATED CONTACT.
SLIGHTLY TOXIC FOLLOWING INGESTION OR RESP EXPOSURE. PRACTICALLY NONTOXIC FOLLOWING ABSORPTION THROUGH SKIN. MODERATELY IRRITATING TO EYES & SKIN & CAPABLE OF CAUSING SKIN SENSITIZATION. NO RADIOMIMETIC EFFECTS DEMONSTRATED.
Non-Human Toxicity Excerpts
...TESTED BY APPLICATION OF DROP TO RABBIT EYES HAS BEEN FOUND TO CAUSE MODERATE REVERSIBLE CORNEAL INJURY. VAPOR IS MODERATE EYE IRRITANT.
SKIN IRRITATION. SCORE OF 4.3...BY DRAIZE TECHNIQUE. ...CLASSIFIED AS MODERATELY IRRITATING. REPEATED 1-HR EXPOSURES RESULT IN SOME TOLERANCE & SCORING OF 2.2...AFTER 20 APPLICATIONS.
INCOORDINATION & DEPRESSED MOTOR ACTIVITY PRECEDING RESP DEPRESSION OCCUR ON ABSORPTION. ... RABBITS ADMIN COMPD PERCUTANEOUSLY SHOWED ALTERED PHYSIOLOGY ONLY @ HIGH DOSES... RESP EXPOSURE PRODUCED TYPICAL CHEMICAL PNEUMONIA IN LEVELS EXCEEDING 500 PPM.
RATS EXPOSED @ 400 PPM...7 HR DAILY FOR 50 DAYS, SHOWED SIGNIFICANTLY GREATER DECR IN MEAN WEEKLY WT GAIN THAN CONTROLS. @ NECROPSY, SOME DECR IN PERITONEAL FAT...& LUNGS OF 4 OF 10 RATS APPEARED...EMPHYSEMATOUS; 2 SHOWED MOTTLING OF LIVER. 1 OF LATTER SHOWED CONFLUENT PNEUMONIA. ...OCULAR IRRITATION & RESP DISTRESS...
...ONLY OBSERVED PHARMACOLOGICAL PROPERTY IS THAT OF CENTRAL NERVOUS SYSTEM DEPRESSION. CAUSE OF DEATH: CENTRAL DEPRESSION OF RESPIRATION.
규제 정보
Regulatory Information
TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.
Status: Active Update: 25-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23504
Isopropyl glycidyl ether IGE: Does not have an individual approval but may be used under an appropriate group standard
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.)
안전 데이터
- OEL
- Ceiling: 50 ppm (240 mg/m3) [15-minute]
- wgk
- 2
- IDLA
- 400 ppm
- tsca
- TSCA listed
- rtecs
- TZ3500000
- ridadr
- UN 3271 3/PG 3
- 독성
- LD50 orally in Rabbit: 4200 mg/kg LD50 dermal Rabbit 9650 mg/kg
- HS 번호
- 2910 90 00
- risk_code
- 10-19-36/37/38-43
- hazard_code
- Xi
- safety_code
- 16-26-36/37
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-05-0594
- 자연 발화 온도
- 290 °C
- Hazard Classifications
- Acute Tox. 3 InhalationFlam. Liq. 3Muta. 2Resp. Sens. 1Skin Sens. 1
- 스토리지 클래스
- 3 - Flammable liquids
- 유해 물질 데이터
- 4016-14-2(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
Glycidyl ethers are used as reactive diluents in epoxy resins. [LaDou, p. 550]
Plastic Composites Manufacturing [Category: Industry]
STABILIZER FOR ORG COMPD & AS INTERMEDIATE FOR SYNTH OF ETHERS & ESTERS
REACTIVE DILUENT FOR EPOXY RESINS
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
응용 분야
용도Glycidyl isopropyl ether is a stabilizer of chlorinated solvents, and viscosity reducer of epoxy resins.
일반 설명Colorless liquid.
제조 방법
생산 방법Isopropyl glycidyl ether is manufactured through the condensation of isopropyl alcohol and epichlorohydrin with subsequent dehydrochlorination with caustic to form the epoxy ring.
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