2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester
기본 정보
- CAS
13058-12-3- 표준 SMILES
CCOC(=O)/C=C(\C)CCC=C(C)C- InChIKey
ZPKNTCZTABQJPS-PKNBQFBNSA-N- 분자식
- C12H20O2
- 평균 분자량
- 196.29 g/mol
- 단동위원소 질량
- 196.14632988
이름 및 식별자
- 우선 이름
- 2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester
- IUPAC
- ethyl (2E)-3,7-dimethylocta-2,6-dienoate
- 영어명
- Ethyl geranate
- 분자식
- C12H20O2
- 분자량
- 196.29
이름 및 동의어
2,6-Octadienoic acid, 3,7-dimethyl-, ethyl esterRefChem:1060350Ethyl geranate32659-21-5Ethyl (E)-3,7-dimethylocta-2,6-dienoateethyl (2E)-3,7-dimethylocta-2,6-dienoate2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester, (E)-(E)-3,7-Dimethyl-2,6-octadienoic acid, ethyl ester2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester, (2E)-E-Ethyl geranateEINECS 235-948-6EINECS 251-144-8
이름 더 보기
(E)-ethyl geranateRARECHEM AL BI 0142Ethyl-(E)-3,7-dimethylocta-2,6-dienoatEthyl (2E)-3,7-dimethyl-2,6-octadienoate3,7-dimethyl-,ethylester,(e)-6-octadienoicacid(E)-3,7-Dimethyl-2,6-octadienoicacid,ethylester6-Octadienoicacid,3,7-dimethyl-,ethylester,(E)-2
ethyl (e)-geranateAI3-25079SCHEMBL756806SCHEMBL9631945DTXSID50885541AKOS006281159Eethyl 3,7-dimethylocta-2,6-dienoateDB-254633
데이터베이스 식별자
- CAS
13058-12-3、32659-21-5- PubChem CID
- 5317247
- DTXSID
DTXSID50885541- EC Number
- 251-144-8
- Nikkaji
- J317.788B、J320.018C
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 233
물리화학적 성질
- 끓는 점
- 72 · 72-74 °C(Press: 0.5 Torr)
- 밀도
- 0.904 · 0.904±0.06 g/cm3(Predicted)
- 냄새
- 100 %에서 · 100.00%에서. 우디 로즈 그린
- 냄새 유형
- 우디
- 화장품 원료 기능
- 향수
- LogP
- 4.136 · 4.136 (est)
- EPA
- 2 · 2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester, (2E)- (32659-21-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: 2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester
Chemical: 2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester, (E)-
2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester: Environment tier I assessment
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-11588
화학 및 산업
용도 및 제조
General Manufacturing Information
2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester: ACTIVE
2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester, (2E)-: ACTIVE
관련 반응
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