기본 정보
- CAS
10107-99-0- 표준 SMILES
CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)OCCOCCO)[C@H]2CC1- InChIKey
PXVVQEJCUSSVKQ-XWVZOOPGSA-N- 분자식
- C24H38O4
- 평균 분자량
- 390.6 g/mol
- 단동위원소 질량
- 390.27700969
이름 및 식별자
- 우선 이름
- Diethylene glycol abietate
- IUPAC
- 2-(2-hydroxyethoxy)ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
- 영어명
- (1R)-1,2,3,4,4a,4bα,5,6,10,10aα-Decahydro-1,4aβ-dimethyl-7-(1-methylethyl)-1α-phenanthrenecarboxylic acid 2-(2-hydroxyethoxy)ethyl ester
- 분자식
- C24H38O4
- 분자량
- 390.56
이름 및 동의어
Diethylene glycol abietateUNII-CXM0P78DR3CXM0P78DR3ADHEXINE1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2-(2-hydroxyethoxy)ethyl ester, (1R,4aR,4bR,10aR)-J414.428GDTXSID0041278Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, 2-(2-hydroxyethoxy)ethyl ester(1R)-1,2,3,4,4a,4balpha,5,6,10,10aalpha-Decahydro-1,4abeta-dimethyl-7-(1-methylethyl)-1alpha-phenanthrenecarboxylic acid 2-(2-hydroxyethoxy)ethyl ester(1R)-1,2,3,4,4A,4B.ALPHA.,5,6,10,10A.ALPHA.-DECAHYDRO-1,4A.BETA.-DIMETHYL-7-(1-METHYLETHYL)-1.ALPHA.-PHENANTHRENECARBOXYLIC ACID 2-(2-HYDROXYETHOXY)ETHYL ESTER1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, 2-(2-HYDROXYETHOXY)ETHYL ESTER, (1R-(1.ALPHA.,4A.BETA.,4B.ALPHA.,10A.ALPHA.))-RefChem:133492
이름 더 보기
2-(2-Hydroxyethoxy)ethyl(1r,4ar,4br,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate(1R)-1,2,3,4,4a,4bα,5,6,10,10aα-Decahydro-1,4aβ-dimethyl-7-(1-methylethyl)-1α-phenanthrenecarboxylic acid 2-(2-hydroxyethoxy)ethyl ester
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 635
물리화학적 성질
- 끓는 점
- 512.8 · 512.8±50.0 °C(Predicted)
- 밀도
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.33 · 14.33±0.10(Predicted)
- EPA
- 1 · 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2-(2-hydroxyethoxy)ethyl ester, (1R,4aR,4bR,10aR)- (10107-99-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2-(2-hydroxyethoxy)ethyl ester, (1R,4aR,4bR,10aR)-: INACTIVE
관련 반응
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