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아크롤레인 디머, 스테빌라이즈

Acrolein dimer

HCID 60994
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
100-73-2
표준 SMILES
O=CC1CCC=CO1
InChIKey
NPWYTMFWRRIFLK-UHFFFAOYSA-N
분자식
C6H8O2
평균 분자량
112.13 g/mol
단동위원소 질량
112.0524295

개요

Acrolein dimer, stabilized appears as a colorless or yellow liquid with a pungent disagreeable odor. May be irritating to the eyes and mucous membranes; long-term exposure may result in adverse health effects. Vapors denser than air. Used to make other chemicals, plastics.

이름 및 식별자

우선 이름
Acrolein dimer
IUPAC
3,4-dihydro-2H-pyran-2-carbaldehyde
현지명
아크롤레인 디머, 스테빌라이즈
영어명
2-Formyl-3,4-dihydro-2H-pyran
분자식
C6H8O2
분자량
112.13

이름 및 동의어

3,4-Dihydro-2H-pyran-2-carbaldehydeAcrolein dimer2-Propenal dimer3,4-Dihydro-2H-pyran-2-carboxaldehyde2H-PYRAN-2-CARBOXALDEHYDE, 3,4-DIHYDRO-NSC 954132,3-Dihydro-1,4-pyran-2-karboxaldehydEINECS 202-884-549SA3RBS5HUN2607BRN 0107244NSC-95413
이름 더 보기
아크롤레인디머,스테빌라이즈MT-A4AcroleindimerPyranaldehyde2,6-epoxy-5-hexena2,6-epoxy-5-Hexenalacrylaldehyde dimer5-Hexenal, 2,6-epoxy-2-formyl-2,3-dihydropyran
Acrolein dimer, stabilized2,3-Dihydro-1,4-pyran-2-karboxaldehyd [Czech]UNII-49SA3RBS5HUN 2607 (Salt/Mix)DTXSID302741515-17-09-00131 (Beilstein Handbook Reference)3,4-Dihydro-2-carboxaldehyde-2H-pyranACROLEIN DIMER, (STABILIZED)

데이터베이스 식별자

CAS
100-73-2
PubChem CID
60994
DTXSID
DTXSID30274151
UNII
49SA3RBS5H
EC Number
202-884-5
Nikkaji
J21.552J

물성

구조 계산 물성보충 중

XLogP
0.7
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
8
형식 전하
0
복잡도
107

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Other Organic Compounds

Flammable agents - 2nd degree

Flash Point118 °F (NFPA, 2010)
Physical Description · 2건

Acrolein dimer, stabilized appears as a colorless or yellow liquid with a pungent disagreeable odor. May be irritating to the eyes and mucous membranes; long-term exposure may result in adverse health effects. Vapors denser than air. Used to make other chemicals, plastics.

Colorless or yellow liquid with a pungent unpleasant odor; [CAMEO] Clear colorless liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
-99.9 °C · -99.9°C
끓는 점
146 °C · 146 °C(lit.)
밀도
1.08 g/mL · 1.08 g/mL at 25 °C
굴절률
20 · n20/D 1.466(lit.)
인화점
54 °C · 54 °C
LogP
-0.388 · -0.388 (est)
NIST
Acrolein dimer(100-73-2)
EPA
2 H-Pyran-2-carboxaldehyde, · 2H-Pyran-2-carboxaldehyde, 3,4-dihydro- (100-73-2)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 79 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 2H-Pyran-2-carboxaldehyde, 3,4-dihydro-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

2H-Pyran-2-carboxaldehyde, 3,4-dihydro-: HSNO Approval: HSR001240 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.)

DOT LabelFlammable Liquid
Fire Hazards · 2건

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2건

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:

· May cause toxic effects if inhaled or absorbed through skin.

Hazards Summary · 1건

A mild skin irritant; Causes respiratory depression and lung changes in inhalation lethal-concentration studies of rats; Causes changes in bladder weight, changes in platelet count, and effects on other proteins in 9-day intermittent inhalation studies of rats; [RTECS] May cause eye and mucous membrane irritation; [CAMEO] May polymerize; An irritant that may cause serious eye injury; Harmful by ingestion, inhalation, and skin absorption; Inhalation of high concentrations may cause weakness, dizziness, and unconsciousness; [Sigma-Aldrich MSDS] Acrolein dimer, stabilized (UN2607) has warning of explosive polymerization; [ERG 2016]

화학 및 산업

용도 및 제조

UsesUsed to make other chemicals and plastics; [CAMEO]
General Manufacturing Information2H-Pyran-2-carboxaldehyde, 3,4-dihydro-: ACTIVE
응용 분야 · 2건

용도NSC 95413 is used as a reagent in chemical processes.

일반 설명A colorless or yellow liquid with a pungent disagreeable odor. Flash point 118°F. Density 1.077 g / cm3 (8.96 lb / gal). May be irritating to the eyes and mucous membranes; long-term exposure may result in adverse health effects. Vapors denser than air. Used to make other chemicals, plastics.

상·하류 제품 정보

상류 원료

2H-Pyran-2-carboxylic acid, 3,4-dihydro-, methyl ester(3,4-dihydro-2H-pyran-2-yl)methyl 3,4-dihydro-2H-pyran-2-carboxylateEthanone, 1-(3,4-dihydro-2H-pyran-2-yl)-2H-Pyran-2-carboxaldehyde, 3,4-dihydro-6-methyl-2-부톡시-3,4-디하이드로-2H-피란Ethanone, 1-(3,4-dihydro-6-methyl-2H-pyran-2-yl)-3,4-Dihydro-2H-pyran-2-methanol

관련 반응

12건
반응 기록 만들기
HRID 18464 반응식
HRID 18464반응물로uspto-grants-2010_06
HRID 18465 반응식
HRID 18465반응물로uspto-grants-2010_06
HRID 177499 반응식
HRID 177499반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 442025 반응식
HRID 442025반응물로uspto-grants-1977_08
HRID 846540 반응식
HRID 846540반응물로uspto-grants-1992_08
HRID 1248522 반응식
HRID 1248522반응물로uspto-grants-1985_06
HRID 1287364 반응식
HRID 1287364반응물로uspto-grants-1976_10
HRID 1287687 반응식
HRID 1287687반응물로uspto-grants-1976_10
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화학적 성질

Colorless viscous liquid

DOT ID and Guide2607 129P
Reactive GroupAldehydes
Reactivity AlertsPolymerizable
Reactivity Profile · 1건

Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.

DOT Hazard Classification · 4건

Acrolein dimer, stabilized

UN2607

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG III: the degree of danger presented by the material is minor

Air and Water ReactionsFlammable. Soluble in water.
Hazard Classes and Categories · 2건

Flam. Liq. 3 (100%)

Flammable agents - 2nd degree, Reactive agents - 1st degree

안전 및 보호

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2건

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
Isolation and Evacuation · 2건

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:

Immediate precautionary measure

Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLC50 (rat) = 3,225 ppm/4hr

안전 데이터

tsca
TSCA listed
rtecs
UP6825000
ridadr
UN 2607
HS 번호
2932999099
risk_code
10-20/21/22-36/37/38-41
hazard_code
Xn
safety_code
16-26-33-36/37/39-45
포장분류
III
위험 등급
3
에틸프로페닐에테르
뷰틸 비닐 에테르
메틸비닐케톤
메타크롤레인
acrylic acid methyl ester
아크롤레인

하류 제품

2H-PYRAN-2-CARBOXALDEHYDE,테트라히드로-