기본 정보
- CAS
125-93-9- 표준 SMILES
CC(C)C1C=C2CCC3C(C)(C(=O)OCC(COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)C=C6CCC45)OC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)C=C6CCC45)CCCC3(C)C2CC1- InChIKey
KZAOFYDFGRIAQU-UHFFFAOYSA-N- 분자식
- C63H98O6
- 평균 분자량
- 951.4 g/mol
- 단동위원소 질량
- 950.73634084
이름 및 식별자
- 우선 이름
- Abietic acid, dihydro-, triester with glycerol
- IUPAC
- 2,3-bis[(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carbonyl)oxy]propyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylate
- 영어명
- 1,2,3-propanetriyl [1R-(1alpha,4abeta,4balpha,10aalpha)]-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
- 분자식
- C63H98O6
- 분자량
- 951.45
이름 및 동의어
125-93-9Abietic acid, dihydro-, triester with glycerolHSDB 5607EINECS 204-761-1DTXSID8010145591-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,1',1''-(1,2,3-propanetriyl) ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)-1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1theta-(1alpha,4abeta,4balpha,10aalpha))-RefChem:108530DTXCID9014371281,2,3Propanetriyl (1R(1alpha,4abeta,4balpha,10aalpha))1,2,3,4,4a,4b,5,6,7,9,10,10adodecahydro7isopropyl1,4adimethylphenanthren1carboxylate1Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10adodecahydro1,4adimethyl7(1methylethyl), 1,1',1''(1,2,3propanetriyl) ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)
이름 더 보기
1,2,3,4,4a,4b,5, 6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7- (1-methylethyl)-, 1,2,3-propanetriyl est1-Phenanthrenecarboxylic acidTris[(1R)-1,2,3,4,4a,4bα,5,6,7,9,10,10aα-dodecahydro-7-isopropyl-1,4aβ-dimethylphenanthrene-1α-carboxylic acid]1,2,3-propanetriyl ester1,2,3-propanetriyl [1R-(1alpha,4abeta,4balpha,10aalpha)]-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10, 10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, [1R-(1α,4a,4bα,10aα)]-1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1R,1R,1R,4aR,4aR,4aR,4bR,4bR,4bR,10aR,10aR,10aR)-
1Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10adodecahydro1,4adimethyl7(1methylethyl), 1,2,3propanetriyl ester, (1R(1alpha,4abeta,4balpha,10aalpha))1Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10adodecahydro1,4adimethyl7(1methylethyl), 1,2,3propanetriyl ester, (1theta(1alpha,4abeta,4balpha,10aalpha))2,3-bis[(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carbonyl)oxy]propyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylate1,2,3-propanetriyl [1R-(1alpha,4abeta,4balpha,10aalpha)]-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-KZAOFYDFGRIAQU-UHFFFAOYSA-NPropane-1,2,3-triyl triabiet-8(14)-en-18-oate1,2,3-Propanetriyl (1R-(1alpha,4abeta,4balpha,10aalpha))-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
데이터베이스 식별자
- CAS
125-93-9- PubChem CID
- 31333
- DTXSID
DTXSID801014559- EC Number
- 204-761-1
물성
구조 계산 물성
- XLogP
- 17.2
- 극성 표면적
- 78.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 69
- 형식 전하
- 0
- 복잡도
- 1,950
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Rosin and Derivatives
물리화학적 성질
- 밀도
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- EPA
- 1 · 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)- (125-93-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryEmergency treatment: Non-toxic ingestion; [HSDB] See Abietic acid.
안전 데이터
- tsca
- TSCA listed
- 유해 물질 데이터
- 125-93-9(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
Used as a resin in adhesives and chewing gum; [HSDB]
Working with Glues and Adhesives [Category: Other]
TACKIFYING RESIN FOR ADHESIVES-ESP HOT-MELT ADHESIVES
TACKIFYING RESIN IN CHEWING GUM
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1979) No Data
(1981) No Data
Methods of ManufacturingHYDROGENATION OF ABIETIC ACID FOLLOWED BY REACTION WITH GLYCEROL
General Manufacturing Information1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,1',1''-(1,2,3-propanetriyl) ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)-: ACTIVE
공급사1 곳
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
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