기본 정보
- CAS
1775-43-5- 표준 SMILES
CC/C=C\CC(=O)O- InChIKey
XXHDAWYDNSXJQM-ARJAWSKDSA-N- 분자식
- C6H10O2
- 평균 분자량
- 114.14 g/mol
- 단동위원소 질량
- 114.06807956
개요
Cis-hex-3-enoic acid is a 3-hexenoic acid having the cis configuration.
이름 및 식별자
- 우선 이름
- 3-Hexenoic acid, (Z)-
- IUPAC
- (Z)-hex-3-enoic acid
- 영어명
- cis-3-Hexenoic acid
- 분자식
- C6H10O2
- 분자량
- 114.14
이름 및 동의어
cis-3-Hexenoic acid1775-43-5(Z)-3-hexenoic acid3-Hexenoic acid, (3Z)-3-Hexenoic acid, (Z)-86H58C39ZVEINECS 217-205-83-HEXENOIC ACID, CIS-FEMA NO. 4493DTXSID20883579RefChem:502187DTXCID40912012
이름 더 보기
(Z)-hex-2-enoic acid(Z)-11-Octadecenyl acetateC3 HEXENOIC ACIDcis-hex-3-enoicaciTIMTEC-BB SBB006610RARECHEM AL BE 0723(Z)-hex-3-enoicacid
(Z)-hex-3-enoic acid(3Z)-3-Hexenoic acidcis-hex-3-enoic acid(3Z)-hex-3-enoic acidcis-Hydrosorbic acid3-HEXENOIC ACID3Z-hexenoic acidfema 3170
데이터베이스 식별자
- CAS
1775-43-5、4219-24-3- PubChem CID
- 5355152
- DTXSID
DTXSID20883579- ChEBI
CHEBI:49284- UNII
- 86H58C39ZV
- Nikkaji
- J98.005F
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 94.7
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
FragrancesFragrance Ingredient (3-Hexenoic acid) -> IFRA transparency List
Food Additives
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.962-0.968
Solubility
Practically insoluble to insoluble in water
Soluble (in ethanol)
Boiling Point
100.00 °C. @ 4.00 mm Hg
209-210º
Melting Point12 °C
Refractive Index1.437-1.443
Physical Description
Liquid
Colourless to pale yellow clear liquid; Sweaty, cheesy, fruity aroma
물리화학적 성질
- 끓는 점
- 106 · 106-110 °C (16 mmHg)
- 밀도
- 0.965 · 0.965
- 굴절률
- 1.439 · 1.439-1.445
- FEMA
- 4493 · 4493 | CIS-3-HEXENOIC ACID
- 인화점
- 108 °C · 108 °C
- 저장 조건
- Store at room temperature
- 산도 계수 (pKa)
- 4.51 · 4.51±0.10(Predicted)
- 냄새
- 1 % · 프로필렌 글리콜 중 1.00%. 푸른 잔디 땀이 나는 과일 치즈 같은 산
- 냄새 유형
- 녹색
- JECFA Number
- 2181 · 2181
- InChI
- InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3-
- InChIKey
- XXHDAWYDNSXJQM-ARJAWSKDSA-N
- SMILES
- C(O)(=O)C/C=C\CC
- LogP
- 1.6 · 1.60
- EPA
- 3 · 3-Hexenoic acid, (3Z)- (1775-43-5)
안전 및 규제
유해성 정보
Regulatory Information
Chemical: 3-Hexenoic acid, (Z)-
Chemical: 3-Hexenoic acid
3-Hexenoic acid: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- tsca
- TSCA listed
- risk_code
- 34
- hazard_code
- C
- safety_code
- 45-36/37/39-25
- 기존화학 물질
- KE-19858
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
3-Hexenoic acid, (3Z)-: ACTIVE
3-Hexenoic acid: ACTIVE
응용 분야
용도(3Z)-3-Hexenoic Acid is an unsaturated aliphatic acid used in the chemistry of flavors.
상·하류 제품 정보
상류 원료
하류 제품
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추가 설명
정의ChEBI: A 3-hexenoic acid having the cis configuration.
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