3,3-Diethoxy-1-propene

HCID 62477CAS 3054-95-3

기본 정보

표준 SMILES
C=CC(OCC)OCC
InChIKey
MCIPQLOKVXSHTD-UHFFFAOYSA-N
분자식
C7H14O2
평균 분자량
130.18 g/mol
단동위원소 질량
130.09937969

개요

3,3-diethoxypropene appears as a colorless liquid with an agreeable odor. Very volatile. Less dense than water. Vapors heavier than air. Used as a solvent and to make cosmetics.

이름 및 식별자

우선 이름
3,3-Diethoxy-1-propene
IUPAC
3,3-diethoxyprop-1-ene
영어명
Acrolein diethyl acetal
분자식
C7H14O2
분자량
130.18

이름 및 동의어

Acrolein diethyl acetal3054-95-3Acrolein diethylacetalAcrolein acetal3,3-Diethoxy-1-propene1,1-Diethoxy-2-propeneAcrolein, diethyl acetal3,3-DiethoxypropenePropenal diethyl acetalAcrylaldehyde diethyl acetalAcrolein, diethylacetalDTXSID0020024
이름 더 보기
3,3-DIETHOXYPROP-1-ENE1-Propene, 3,3-diethoxy-3 3-DIETHOXYPROPENEAVAC-013ein DiethyLACROLEIN DEAAvacopan Impurity 6ACROLEINDITHYLACETAL
NSC-60135DTXCID002433XN703369PROPENE, 3,3-DIETHOXY-diethoxypropeneAcrylylaldehyde diethyl acetalRefChem:109416221-276-0

데이터베이스 식별자

CAS
3054-95-3
PubChem CID
62477
DTXSID
DTXSID0020024
ChEMBL
CHEMBL3182978
UNII
33XN703369
EC Number
221-276-0
Nikkaji
J83.950G

물성

구조 계산 물성

XLogP
1.4
극성 표면적
18.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
5
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Acetals

Flammable agents - 3rd degree

SpringerMaterials PropertiesOptical coefficient
Physical Description · 2건

3,3-diethoxypropene appears as a colorless liquid with an agreeable odor. Very volatile. Less dense than water. Vapors heavier than air. Used as a solvent and to make cosmetics.

Colorless liquid with a pleasant odor; [CAMEO]

물리화학적 성질

녹는점
120 · 120-124 °C
끓는 점
125 °C · 125 °C (lit.)
밀도
0.854 g/mL · 0.854 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.398(lit.)
인화점
40 °F · 40 °F
저장 조건
2 · 2-8°C

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 188 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

1-Propene, 3,3-diethoxy-: 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

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

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

Health Hazards · 2건

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

· Inhalation or contact with material may irritate or burn skin and eyes.

Hazards SummaryMay form unstable peroxides on exposure to air; [CAMEO] A strong eye irritant; [Alfa Aesar MSDS]
DOT ID and Guide2374 127

안전 및 보호

Fire FightingExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
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 127 [Flammable Liquids (Water-Miscible)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Isolation and Evacuation · 2건

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Immediate precautionary measure

안전 데이터

wgk
3
rtecs
AS1370000
ridadr
UN 2374
HS 번호
29110000
risk_code
11-36
hazard_code
F,Xi

화학 및 산업

용도 및 제조

UsesUsed as a solvent and to make cosmetics; [CAMEO]

응용 분야

용도Acrolein diethyl acetal is a reagent used for the synthesis of a variety of compounds, including cinnamaldehydes.

일반 설명A colorless liquid with an agreeable odor. Very volatile. Flash point 70°F. Less dense than water. Vapors heavier than air. Used as a solvent and to make cosmetics.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
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武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

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