기본 정보
- CAS
2259-14-5- 표준 SMILES
CC(C)=C[C@H]1[C@H](C(=O)O)C1(C)C- InChIKey
XLOPRKKSAJMMEW-JGVFFNPUSA-N- 분자식
- C10H16O2
- 평균 분자량
- 168.23 g/mol
- 단동위원소 질량
- 168.11502975
개요
(-)-trans-chrysanthemic acid is a trans-chrysanthemic acid. It is an enantiomer of a (+)-trans-chrysanthemic acid.
이름 및 식별자
- 우선 이름
- Chrysanthemic acid, trans-(-)-
- IUPAC
- cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
- 영어명
- (1S-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid
- 분자식
- C10H16O2
- 분자량
- 168.23284
이름 및 동의어
75957WZ15YDTXSID50883820TRANS-(-)-CHRYSANTHEMIC ACIDCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S,3S)-CHRYSANTHEMIC ACID L-TRANS-FORMCHRYSANTHEMIC ACID, TRANS-(-)-CHRYSANTHEMIC ACID L-TRANS-FORM [MI]Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,3R)-rel-RefChem:577060DTXCID601023306(-)-trans-Chrysanthemic acid2259-14-5
이름 더 보기
l-trans-Form(-)-trans-Chrysanthemicacid4-09-00-00169 (Beilstein Handbook Reference)2,2-Dimethyl-3β-(2-methyl-1-propenyl)cyclopropane-1α-carboxylic acid(1S)-2,2-Dimethyl-3β-(2-methyl-1-propenyl)cyclopropane-1α-carboxylic acid[1S,3S,(-)]-2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acidCyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S,3S)-[1S,3S,(-)]-2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylic acid
(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid705-16-8Chrysanthemic acid dl-trans-forml-trans-chrysanthemic acid(1S-trans)-2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid(1S-trans)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid(-)-trans-Chrysanthemumsaeure(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
데이터베이스 식별자
- CAS
2259-14-5、705-16-8- PubChem CID
- 33607
- ChEBI
CHEBI:39102- UNII
- 360DB5209D、75957WZ15Y
- EC Number
- 211-883-9、218-858-1
- Nikkaji
- J52.427A
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 234
물리화학적 성질
- 녹는점
- 17 · 17-21°
- 끓는 점
- 99 · 99-100 °C(Press: 0.2-0.3 Torr)
- 밀도
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 4.9 · 4.90±0.33(Predicted)
- EPA
- 2 · Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1S,3S)- (2259-14-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,3R)-rel-: INACTIVE
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S,3S)-: INACTIVE
공급사4 곳
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