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이소프로필글리시딜에테르

2-((1-Methylethoxy)methyl)oxirane

HCID 19920
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
4016-14-2
표준 SMILES
CC(C)OCC1CO1
InChIKey
NWLUZGJDEZBBRH-UHFFFAOYSA-N
분자식
C6H12O2
평균 분자량
116.16 g/mol
단동위원소 질량
116.08372962

개요

Isopropyl glycidyl ether is a colorless liquid. (USCG, 1999)

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

Glycidyl isopropyl ether4016-14-2ISOPROPYL GLYCIDYL ETHER(Isopropoxymethyl)oxirane3-Isopropyloxypropylene oxide3-Isopropoxy-1,2-epoxypropaneIsopropyl epoxypropyl ether1,2-Epoxy-3-isopropoxypropaneNCI-C56439((1-Methylethoxy)methyl)oxirane2,3-Epoxypropyl-isopropyl etherOxirane, ((1-methylethoxy)methyl)-
이름 더 보기
이소프로필글리시딜에테르이소프로필글리시딜에테르아이소프로필 글리시딜 에테르2-(Isopropoxymethyl)oxiraneIPGEAKOS NCG-0053ISOPROPOXYMETHYLOXIRANEisopropylepoxypropylether2-Isopropyloxymethyloxirane
DTXSID6025480Oxirane, [(1-methylethoxy)methyl]-NSC-4127NSC-46562DTXCID7054801V3116630G2-((1-METHYLETHOXY)METHYL)OXIRANE2-[(1-methylethoxy)methyl]oxirane

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
70.9

실험 및 물리화학적 성질

Chemical ClassesFlammable agents - 3rd degree
PolymersPlastics & Rubber -> Glycidyl Ethers
LogP · 2건

0.5

0.8

Density · 5건

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 · 2건

MOBILE, COLORLESS LIQUID

Colorless liquid.

Solubility · 4건

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 · 5건

92 °F (NTP, 1992)

33 °C

33 °C c.c.

92 °F

92 °F

Boiling Point · 5건

261 °F at 760 mmHg (NTP, 1992)

137 °C @ 760 MM HG

137 °C

261 °F

279 °F

Vapor Density · 2건

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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.

Danger

H360: May damage fertility or the unborn child [Danger Reproductive toxicity]

유해성 정보

Regulatory Information · 5건

Hazard Traits - Reproductive Toxicity

TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.

REACH registered substance: 2,3-epoxypropyl isopropyl ether (EC: 223-672-9)

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.)

DOT LabelFlammable Liquid
Fire Hazards · 2건

Special Hazards of Combustion Products: Toxic vapors and gases, such as carbon monoxide, may be released in a fire.

Flammable. Above 33 °C explosive vapour/air mixtures may be formed.

Health HazardsExposure can cause mental confusion and moderate irritation of the eyes, skin, and respiratory tract. Chronic exposure can cause dermatitis and skin sensitization. (USCG, 1999)
Hazards SummaryRepeated or prolonged contact may cause skin sensitization. [ICSC}

화학 및 산업

용도 및 제조

Uses · 4건

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 · 2건

(1977) No Data

(1979) No Data

U.S. Imports · 2건

(1977) No Data

(1979) No Data

U.S. Production · 2건

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

Methods of ManufacturingREACTION OF EPICHLOROHYDRIN WITH ISOPROPYL ALCOHOL FOLLOWED BY REACTION WITH SODIUM HYDROXIDE
General Manufacturing InformationOxirane, 2-[(1-methylethoxy)methyl]-: ACTIVE

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.

상·하류 제품 정보

상류 원료

나트륨에피클로로하이드린

관련 반응

10건
반응 기록 만들기
HRID 116168 반응식
HRID 116168반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 259267 반응식
HRID 259267반응물로uspto-grants-1977_07
HRID 291527 반응식
HRID 291527반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 376917 반응식
HRID 376917반응물로uspto-grants-2000_02
HRID 1050889 반응식
HRID 1050889반응물로uspto-grants-2016_07
HRID 1060352 반응식
HRID 1060352반응물로uspto-grants-2003_02
HRID 1665366 반응식
HRID 1665366반응물로uspto-grants-2011_10
HRID 2302152 반응식
HRID 2302152반응물로uspto-grants-2002_08
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4.15 (AIR= 1)

Relative vapor density (air = 1): 4.15

Odor ThresholdOdor Threshold Low: 300.0 [ppm]
Vapor Pressure · 6건

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 · 5건

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

Reactive GroupEthers
UN ClassificationUN Hazard Class: 3; UN Pack Group: III
Reactivity AlertsHighly Flammable
Reactivity Profile · 1건

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.

Chemical DangersThe substance can presumably form explosive peroxides upon exposure to air or light. Reacts violently with strong oxidants, amines and acids.
Flammable LimitsClass IC Flammable Liquid: Fl.P. at or above 73 °F and below 100 °F.
Air and Water ReactionsHighly flammable. Water soluble.

안전 및 보호

Fire Fighting · 2건

Fire Extinguishing Agents Not to Be Used: Water.

Use powder, AFFF, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4건

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 · 2건

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.

(General first aid procedures)

Safe StorageFireproof. Separated from strong oxidants and acids. Cool. Dry. Keep in the dark. Well closed.
Nonfire Spill Response · 1건

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.

Spillage Disposal · 1건

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 · 3건

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 EvacuationExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Eye PreventionWear safety spectacles or eye protection in combination with breathing protection.
Fire PreventionNO open flames, NO sparks and NO smoking. Above 33 °C use a closed system, ventilation and explosion-proof electrical equipment.
Inhalation RiskA harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
Skin PreventionProtective gloves.

독성 정보

Target OrgansEyes, skin, respiratory system, blood, reproductive system
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Exposure Routes · 2건

The substance can be absorbed into the body by inhalation of its vapour.

inhalation, ingestion, skin and/or eye contact

Signs and Symptoms · 4건

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 · 2건

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 · 5건

...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.

Toxicity DataLC50 (rat) = 1,100 ppm/8H

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)
이소프로필알코올

하류 제품

1-Amino-3-isopropoxy-propan-2-ol