기본 정보
- CAS
5187-71-3- 표준 SMILES
C=CCC(C)C=O- InChIKey
RCQKLWAPRHHRNN-UHFFFAOYSA-N- 분자식
- C6H10O
- 평균 분자량
- 98.14 g/mol
- 단동위원소 질량
- 98.07316494
이름 및 식별자
- 우선 이름
- 2-Methylpent-4-enal
- IUPAC
- 2-methylpent-4-enal
- 현지명
- 2-메틸-펜트-4-ENAL
- 영어명
- 2-METHYL-PENT-4-ENAL
- 분자식
- C6H10O
- 분자량
- 98.14
이름 및 동의어
2-Methyl-4-pentenal2-methylpent-4-enal5187-71-3DTXSID90966202RefChem:476135DTXCID20839076966-064-52-METHYL-PENT-4-ENAL4-Pentenal, 2-methyl-2-Methyl-4-pentenal #SCHEMBL548844SCHEMBL680097
이름 더 보기
2-메틸-펜트-4-ENAL
SCHEMBL1414105CHEBI:173330AKOS006290859DA-25871NS00010716EN300-2964850
데이터베이스 식별자
- CAS
5187-71-3- PubChem CID
- 521355
- DTXSID
DTXSID90966202- ChEBI
CHEBI:173330- EC Number
- 966-064-5
- Nikkaji
- J129.683C
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 66
실험 및 물리화학적 성질
Kovats Retention Index
776.3；798
792.8
1141；1141；1141
물리화학적 성질
- 녹는점
- -78 °C · -78°C (estimate)
- 끓는 점
- 133.68 °C · 133.68°C (estimate)
- 밀도
- 0.8483 · 0.8483 (estimate)
- 굴절률
- 1.4276 · 1.4276 (estimate)
- LogP
- 1.467 · 1.467 (est)
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
화학 및 산업
약리 정보
Cellular LocationsCytoplasm；Extracellular
응용 분야
용도2-Methyl-pent-4-enal can be used to study the chemical constituents of cucumber.
상·하류 제품 정보
상류 원료
공급사3 곳
관련 반응
4건
화합물 노트
불러오는 중…