1,1-Diethoxy-3-methyl-2-butene

HCID 5215320CAS 1740-74-5

기본 정보

표준 SMILES: CCOC(C=C(C)C)OCC
InChIKey: SFUKGEREDDIOED-UHFFFAOYSA-N
분자식: C9H18O2
평균 분자량: 158.24 g/mol
단동위원소 질량: 158.13067982

이름 및 식별자

우선 이름: 1,1-Diethoxy-3-methyl-2-butene
IUPAC: 1,1-diethoxy-3-methylbut-2-ene
영어명: 1 1-Diethoxy-3-methyl-2-butene 97
분자식: C9H18O2
분자량: 158.24

이름 및 동의어

1,1-Diethoxy-3-methyl-2-butene1740-74-5DTXSID00410564RefChem:213637DTXCID50361416625-498-21,1-diethoxy-3-methylbut-2-ene2-Butene, 1,1-diethoxy-3-methyl-Prenal diethyl acetaMFCD030939681 1-DIETHOXY-3-METHYL-2-BUTENE 973,3-Dimethylacrolein diethyl acetal; 3-Methyl-2-butenal diethyl acetal

이름 더 보기

1 1-Diethoxy-3-methyl-2-butene 971,1-Diethoxy-3-Methyl-2-butene 97%

3-methyl-2-butenal diethyl acetalSCHEMBL295250SFUKGEREDDIOED-UHFFFAOYSA-NAKOS015913082beta-methyl-crotonaldehyde diethylacetal1,1-Diethoxy-3-methyl-2-butene, 97%SY366695DB-064936

데이터베이스 식별자

CAS: 1740-74-5
PubChem CID: 5215320
DTXSID: DTXSID00410564
EC Number: 625-498-2
Nikkaji: J605.097B

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 11
형식 전하: 0
복잡도: 109

물리화학적 성질

끓는 점: 53 · 53-58 °C/20 mmHg (lit.)
밀도: 0.837 g/mL · 0.837 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.421(lit.)
인화점: 140 °F · 140 °F
InChI: 1S/C9H18O2/c1-5-10-9(11-6-2)7-8(3)4/h7,9H,5-6H2,1-4H3
InChIKey: SFUKGEREDDIOED-UHFFFAOYSA-N
SMILES: CCOC(OCC)\C=C(\C)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 3271 3/PG 3
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도1,1-Diethoxy-3-methyl-2-butene may be used in the synthesis of:6,6,10-trimethyl-4-propyl-10,11-dihydro-2H,6H,12H-dipyrano[2,3-f:2′,3′-h]chromene-2,12-dioneangular pyranocoumarins6-cyano-2,2-dimethyl-2-H-1-benzopyran

일반 설명1,1-Diethoxy-3-methyl-2-butene is an acyclic alkene.