기본 정보
- CAS
28069-74-1- 표준 SMILES
CC/C=C\CCOC(C)OCC- InChIKey
PAEBAEDUARAOSG-SREVYHEPSA-N- 분자식
- C10H20O2
- 평균 분자량
- 172.26 g/mol
- 단동위원소 질량
- 172.14632988
이름 및 식별자
- 우선 이름
- Acetaldehyde ethyl (Z)-3-hexenyl acetal
- IUPAC
- (Z)-1-(1-ethoxyethoxy)hex-3-ene
- 현지명
- ACETALDEHYDEETHYLCIS-3-헥세닐아세탈
- 영어명
- Acetaldehyde ethyl cis-3-hexenyl acetal
- 분자식
- C10H20O2
- 분자량
- 172.26
이름 및 동의어
Acetaldehyde ethyl cis-3-hexenyl acetal28069-74-1Leaf acetal(Z)-1-(1-Ethoxyethoxy)hex-3-eneLeaf alcohol (ethyl) acetalFEMA No. 3775DTXSID4047418Acetaldehyde ethyl (Z)-3-hexenyl acetalcis-3-Hexenyl ethyl acetalEthyl cis-3-hexenyl acetal acetaldehyde3-Hexene, 1-(1-ethoxyethoxy)-, (Z)-3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)-
이름 더 보기
ACETALDEHYDEETHYLCIS-3-헥세닐아세탈FEMA 3775(Z)-leaf acetalLEAF ALCOHOL ACETALCIS-3-HEXENAL ACETAL(Z)-3-HexeneAcetaldehydecis-3-hexenylethylacetalethylcis-3-hexenylacetal
B565J772LBAcetaldehyde, ethyl 3-hexenyl acetal, (Z)-Ethane, 1-ethoxy-1-(3-hexenyloxy)-, (Z)-EINECS 248-817-33,5-Dioxa-4-methyl-8-cis-undecene(Z)-1-Ethoxy-1-(3-hexenyloxy)ethane1-(1-Ethoxyethoxy)-3-hexene, (Z)-Acetaldehyde, ethyl cis-3-hexenyl acetal
데이터베이스 식별자
- CAS
28069-74-1- PubChem CID
- 5366352
- DTXSID
DTXSID4047418- ChEMBL
CHEMBL3185276- UNII
- B565J772LB
- EC Number
- 248-817-3
- Nikkaji
- J60.728B
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 110
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Acetaldehyde ethyl cis-3-hexenyl acetal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.846-0.856
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point85 °C (7 mm Hg)
Refractive Index1.430-1.435
Physical Descriptioncolourless mobile liquid with a powerful, green, herbaceous odour
물리화학적 성질
- 끓는 점
- 198 ℃ · 198℃
- 밀도
- 0 · 0,86 g/cm3
- 굴절률
- 20 · n20/D1.422
- FEMA
- 3775 · 3775 | ACETALDEHYDE ETHYL CIS-3-HEXENYL ACETAL
- 인화점
- 45 ℃ · 45℃
- 물리적 상태
- 투명한 액체
- 색상
- 무색의 액체
- Specific Gravity
- 0.855 · 0.855
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 녹색 보라색 천연 녹색 잎 버섯 소박
- 냄새 유형
- 녹색
- JECFA Number
- 943 · 943
- 화장품 원료 기능
- 향수
- LogP
- 3.01 · 3.01
- EPA
- 3 · 3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)- (28069-74-1)
화학적 성질
A colorless liquid with a powerful, green, herbaceous odor. Fairly stable in alkali, unstable in acid of pH lower than 5.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 71.2% (158 of 222) of all reports.
Warning
H226 (28.8%): 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 222 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 3-Hexene, 1-(1-ethoxyethoxy)-, (Z)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3-Hexene, 1-(1-ethoxyethoxy)-, (Z)-: Environment tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (28.8%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MP6795000
- ridadr
- UN 1993C 3 / PGIII
- 독성
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Levenstein, 1974).
- HS 번호
- 2912.19.5000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)-: ACTIVE
응용 분야
출처Reported found in guava fruit (Psidium guajava L.) and plum
제조 방법
From acetaldehyde diethyl acetal (acetal) with cis-3-hexenol
공급사53 곳
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