기본 정보
- 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
이름 더 보기
데이터베이스 식별자
- CAS
100-73-2- PubChem CID
- 60994
- DTXSID
DTXSID30274151- UNII
- 49SA3RBS5H
- EC Number
- 202-884-5
- Nikkaji
- J21.552J
물성
구조 계산 물성
- 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
Other Classes -> Other Organic Compounds
Flammable agents - 2nd degree
Physical Description
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)
화학적 성질
Colorless viscous liquid
안전 및 규제
GHS 분류
GHS Classification
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
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.)
Fire Hazards
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
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
· May cause toxic effects if inhaled or absorbed through skin.
Hazards Summary
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]
Reactivity Profile
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
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
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable agents - 2nd degree, Reactive agents - 1st degree
안전 및 보호
Accidental Release Measures
· 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
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
Immediate precautionary measure
독성 정보
안전 데이터
- tsca
- TSCA listed
- rtecs
- UP6825000
- ridadr
- UN 2607
- 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
화학 및 산업
용도 및 제조
응용 분야
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
하류 제품
공급사50 곳
관련 반응
연결된 노트
불러오는 중…