기본 정보
- 표준 SMILES
CCC/C=C/C(=O)OCC- InChIKey
SJRXWMQZUAOMRJ-VOTSOKGWSA-N- 분자식
- C8H14O2
- 평균 분자량
- 142.2 g/mol
- 단동위원소 질량
- 142.09937969
이름 및 식별자
- 우선 이름
- Ethyl trans-2-hexenoate
- IUPAC
- ethyl (E)-hex-2-enoate
- 영어명
- Ethyl (E)-hex-2-enoate
- 분자식
- C8H14O2
- 분자량
- 142.2
이름 및 동의어
27829-72-7Ethyl trans-2-hexenoateEthyl 2-hexenoateethyl (E)-hex-2-enoate2-Hexenoic acid, ethyl ester, (2E)-Ethyl (E)-2-hexenoate2-Hexenoic acid, ethyl esterEthyl 2E-hexenoateEthyl E-hex-2-enoate(2E)-2-Hexenoic Acid Ethyl Ester1552-67-6ethyl (2E)-hex-2-enoate
이름 더 보기
FEMA 3675ETHYL T2 HEXENOATERARECHEM AL BI 0150Ethyl trans-2-hexen(E)-ETHYL 2-HEXENOATEEthyl (2E)-2-hexenoate
FEMA No. 3675MFCD000365412-Hexenoic acid, ethyl ester, (E)-OL4EUZ6C13Ethyl ester of 2-hexenoic acidtrans-2-Hexenoic Acid Ethyl EsterEthyl (E)hex-2-enoateUNII-OL4EUZ6C13
데이터베이스 식별자
- CAS
1552-67-6、27829-72-7- PubChem CID
- 5364778
- DTXSID
DTXSID30885403- ChEBI
CHEBI:87514- UNII
- OL4EUZ6C13
- EC Number
- 248-681-5
- Nikkaji
- J110.615E、J250.597E
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 116
실험 및 물리화학적 성질
Density
0.895-0.905 (20º)
0.895-0.905
Solubility
Practically insoluble to insoluble in water
Soluble (in ethanol)
Slightly soluble in water; soluble in fats
Soluble (in ethanol)
Boiling Point
167.00 to 174.00 °C. @ 760.00 mm Hg
167-174º
110-111 °C (10 mm Hg)
Refractive Index
1.430-1.440
1.429-1.434
Physical Description
Clear colourless liquid; fruity aroma
Colourless liquid; Fruity, green, pulpy, pineapple, apple aroma
Kovats Retention Index
1020；1018；1023；1020；1024；1025；1026；1019；1024
1036；1038；1036；1049；1030；1043；1030；1046；1049；1052；1040
1343；1329；1336；1305；1328；1357；1360；1360；1336；1354.6；1334；1338；1329；1335；1336；1367；1345；1328
물리화학적 성질
- 녹는점
- 2 °C · −2 °C(lit.)
- 끓는 점
- 123 · 123-126 °C12 mm Hg(lit.)
- 밀도
- 0.95 g/mL · 0.95 g/mL at 25 °C(lit.)
- FEMA
- 3675 · 3675 | ETHYL TRANS-2-HEXENOATE
- 굴절률
- 20 · n20/D 1.46(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- 냄새
- 100 %에서 · 100.00%에서. 녹색 과일향이 나는 열대 과즙이 풍부한 파파야 모과 와인 맛이 나는 러미 오렌지 야채
- 냄새 유형
- 녹색
- JECFA Number
- 1808 · 1808
- BRN
- 1701323 · 1701323
- LogP
- 2.91 · 2.91
- NIST
- 2 · Ethyl 2-hexenoate(27829-72-7)
- EPA
- 2 · 2-Hexenoic acid, ethyl ester, (2E)- (27829-72-7)
화학적 성질
Ethyl trans-2-hexenoate has a fruity, green, pulpy pineapple and apple odor.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 79.4% (139 of 175) of all reports.
Warning
H226 (20.6%): 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 175 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 139 of 175 reports by companies.；There are 3 notifications provided by 36 of 175 reports by companies with hazard statement code(s).；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
Regulatory Information
Chemical: 2-Hexenoic acid, ethyl ester
Chemical: 2-Hexenoic acid, ethyl ester, (E)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Hexenoic acid, ethyl ester, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (20.6%)
규제 정보
Regulatory Information
Chemical: 2-Hexenoic acid, ethyl ester
Chemical: 2-Hexenoic acid, ethyl ester, (E)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Hexenoic acid, ethyl ester, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MP7750000
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 29171900
- risk_code
- 34-10
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-36/39-45-35-3/9-36-15
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-19859
화학 및 산업
약리 정보
Cellular LocationsExtracellular；Membrane
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Hexenoic acid, ethyl ester, (2E)-: ACTIVE
응용 분야
출처Reported found in apple brandy, cognac, grape brandy, concord grapes, wild grapes, passion fruit, quince, strawberry, guava, pineapple, pawpaw and wood apple.
용도(2E)-2-Hexenoic Acid Ethyl Ester is an odor active compound found in fruits such as papaya fruit cv. Red Maradol and guava (Psidium guajava L. cv. Red Suprema).
상·하류 제품 정보
하류 제품
공급사50 곳
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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武汉绿景丰华生物科技有限公司19972070065 · [email protected]
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