기본 정보
- CAS
10482-55-0- 표준 SMILES
C/C=C(/C)C(=O)OCCC(C)C- InChIKey
ZARFDQHJMNVNLE-UITAMQMPSA-N- 분자식
- C10H18O2
- 평균 분자량
- 170.25 g/mol
- 단동위원소 질량
- 170.13067981
개요
3-methylbutyl (Z)-2-methylbut-2-enoate has been reported in Chamaemelum nobile with data available.
이름 및 식별자
- 우선 이름
- 2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (2Z)-
- IUPAC
- 3-methylbutyl (Z)-2-methylbut-2-enoate
- 영어명
- Angelic acid isoamyl ester
- 분자식
- C10H18O2
- 분자량
- 170.25
이름 및 동의어
2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (2Z)-EINECS 233-985-22-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (Z)-DTXSID70884475Isopentyl 2-methylcrotonate (Z)-3-Methylbutyl (2Z)-2-methyl-2-butenoateRefChem:467997DTXCID70102391110482-55-0Isoamyl angelateAngelic Acid Isoamyl Ester3-Methylbutyl angelate
이름 더 보기
Isoamyl Angelate >Angelic acid isoamyl esterisopentyl 2-methylcrotonateISOAMYL (Z)-2-METHYL-2-BUTENOATEANGELIC ACID ISOAMYL ESTER USP/EP/BPCIS-2-METHYL-2-BUTENOIC ACID ISOAMYL ESTER
(Z)-isopentyl 2-methylbut-2-enoateMFCD00213789iso-Amyl tiglateisopentyl (Z)-2-methylbut-2-enoate3-methylbutyl (Z)-2-methylbut-2-enoate3-methylbutyl (2Z)-2-methylbut-2-enoateiso-Amylangelate(Z)-2-Methyl-2-butenoic Acid Isoamyl Ester
데이터베이스 식별자
- CAS
10482-55-0- PubChem CID
- 5366155
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 169
물리화학적 성질
- 끓는 점
- 201 °C · 201 °C
- 밀도
- 0 · 0,89 g/cm3
- 굴절률
- 1.437 · 1.4370-1.4390
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- 냄새
- 100 %에서 · 100.00%에서. 꽃 과일 카모마일
- 냄새 유형
- 꽃향기
- 화장품 원료 기능
- 향수
- LogP
- 3.597 · 3.597 (est)
- EPA
- 2 · 2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (2Z)- (10482-55-0)
화학적 성질
Herbaceous-winey taste in suitable dilution (5-20 ppm.). Finds some use in perfumery in the reconstruction of “Roman” Chamomile oil which is very expensive and often in poor supply. Recent availability of low-cost Angelic acid has produced an increased interest in the esters. Occasionally used in flavors, mainly for liqueurs and certain types of candy, or as a trace component-modifier in minty toothpaste flavors. Produced from Angelic acid and iso-Amyl alcohol by direct esterification under azeotropic conditions.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: 2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (Z)-
2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (2Z)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (Z)-: Environment tier I assessment
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2916199590
- 기존화학 물질
- KE-23612
화학 및 산업
용도 및 제조
General Manufacturing Information2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (2Z)-: ACTIVE
공급사28 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
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