4-Heptenal, (4Z)-
기본 정보
- CAS
6728-31-0- 표준 SMILES
CC/C=C\CCC=O- InChIKey
VVGOCOMZRGWHPI-ARJAWSKDSA-N- 분자식
- C7H12O
- 평균 분자량
- 112.17 g/mol
- 단동위원소 질량
- 112.088815
개요
(Z)-4-Heptenal is a monounsaturated fatty aldehyde.
이름 및 식별자
- 우선 이름
- 4-Heptenal, (4Z)-
- IUPAC
- (Z)-hept-4-enal
- 영어명
- CIS-4-HEPTENAL
- 분자식
- C7H12O
- 분자량
- 112.17
이름 및 동의어
cis-4-Heptenal(Z)-Hept-4-enalcis-4-Hepten-1-al(Z)-4-heptenal6728-31-04-Heptenal, (Z)-(Z)-4-Hepten-1-al(4Z)-HEPT-4-ENAL4-Heptenal, cis-Propylidenebutyraldehyde4-Heptenal, (4Z)-FEMA No. 3289
이름 더 보기
FEMA 3289(z)-4-heptena4-cis-Heptenal4Z-7CHOC4 HEPTENALCIS-4-HEPTENA
5BJ99WWP64EINECS 229-779-7AI3-36035DTXSID50884332(Z)-4-HEPTEN-1-AL [FCC]cis4Hepten1al4Heptenal, cis(Z)Hept4enal
데이터베이스 식별자
- CAS
6728-31-0- PubChem CID
- 5362814
- DTXSID
DTXSID50884332- ChEBI
CHEBI:195657- UNII
- 5BJ99WWP64
- EC Number
- 229-779-7
- Nikkaji
- J127.242J
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 74.5
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aldehydes
FragrancesFragrance Ingredient (4-Heptenal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.843-0.855
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol and most fixed oils; insoluble in water
(in ethanol)
Boiling Point
60.00 °C. @ 30.00 mm Hg
60 °C (25 mmHg)
Refractive Index1.432-1.436
Physical Description
Clear light yellow liquid; [Sigma-Aldrich MSDS]
slightly yellow liquid with a fatty, green odour
물리화학적 성질
- 녹는점
- -53.35 °C · -53.35°C (estimate)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (14%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P317, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1556 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 4-Heptenal, (Z)-
Regulation (EC) No 1831/2003 (amended)
4-Heptenal, (4Z)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 4-Heptenal, (Z)-: Environment tier I assessment
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (14%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1989 3/PG 3
- HS 번호
- 29121900
- risk_code
- 10
- safety_code
- 16-24/25
- 포장분류
- III
- 위험 등급
- 3
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information4-Heptenal, (4Z)-: ACTIVE
응용 분야
개요cis-4-Heptenal has an odor reminiscent of heptaldehyde. It is suggestive of fried fats on dilution. It is used to impart a fried, buttery flavor. It is prepared from Hemiptera insects (trans-form); from pen-ten-l-en-3-ol converted to the corresponding vinyl ether which undergoes a Claisen rearrangement to 4-heptenal (transform).
출처Reported found as a constitutent in butterfat, microbial fermented tea and black Hemiptera bugs
제조 방법
From Hemiptera bugs (trans-form); from penten-1-en-3-ol converted to the corresponding vinyl ether, which undergoes a Claisen rearrangement to 4-heptenal (trans-form).
상·하류 제품 정보
상류 원료
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