기본 정보
- CAS
68039-39-4- 표준 SMILES
CC(C)C(=O)OC1CC2CC1C1CC=CC21- InChIKey
NOVRMYIRGSLBER-UHFFFAOYSA-N- 분자식
- C14H20O2
- 평균 분자량
- 220.31 g/mol
- 단동위원소 질량
- 220.14632988
이름 및 식별자
- 우선 이름
- 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl isobutyrate
- IUPAC
- 8-tricyclo[5.2.1.02,6]dec-3-enyl 2-methylpropanoate
- 영어명
- 3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1(3)H-INDEN-6-YL ISOBUTYRATE
- 분자식
- C14H20O2
- 분자량
- 220.31
이름 및 동의어
68039-39-43a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl isobutyrateEINECS 268-255-2Tricyclo(5.2.1.02,6)dec-3-en-8-yl isobutyrateDTXSID0052386Propanoic acid, 2-methyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl ester6-Butyroxy-3a,4,5,6,7,7a-hexahydro-4,7-methanoindeneRefChem:505522DTXCID0030958268-255-28-tricyclo[5.2.1.02,6]dec-3-enyl 2-methylpropanoate3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl isobutyrate
이름 더 보기
Verdyl IsobutyrateCYCLABUTEGARDOCYCLENEGREENYLISOBUTYRATisogreen methanoindeneTRICYCLO DECENYL ISOBUTYRATEHexahydro-Methanoinden-6-yl IsobutyrateTricyclo(5.2.1.02,6)dec-3-en-8-ylisobutyrate
SCHEMBL3505602NOVRMYIRGSLBER-UHFFFAOYSA-NAKOS005379557NS000125433a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl 2-methylpropanoate
데이터베이스 식별자
- CAS
68039-39-4- PubChem CID
- 107068
- DTXSID
DTXSID0052386- EC Number
- 268-255-2
- Nikkaji
- J288.962E
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 332
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl isobutyrate) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 287.7 · 287.7±39.0 °C(Predicted)
- 밀도
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- 냄새
- 100 %에서 · 100.00%에서. 녹색 잡초 기름진 달콤한 우디 꽃무늬 치자나무 재스민 튜베로즈
- 냄새 유형
- 녹색
- 화장품 원료 기능
- 향수
- LogP
- 3.982 · 3.982 (est)
- EPA
- Tricyclo(5.2.1.02,6)dec-3-en-8-yl isobutyrate (68039-39-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 85.6% (226 of 264) of all reports.
Warning
H319 (10.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 264 reports by companies from 5 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Propanoic acid, 2-methyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl ester
Propanoic acid, 2-methyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Propanoic acid, 2-methyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl ester: Environment tier I assessment
Hazard Classes and CategoriesEye Irrit. 2 (10.2%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Household ProductsInformation on 11 consumer products that contain Hexahydro-Methanoinden-6-Yl Isobutyrate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationPropanoic acid, 2-methyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl ester: ACTIVE
공급사21 곳
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
湖北世腾化工科技有限公司19086915685 18971850150 · [email protected]
BOC Sciences[email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
武汉麟盛科技有限公司18162769939 · [email protected]
广州尚合化学科技有限公司17665062297 17665062297 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
郑州灵之悦科技有限公司+86-0371-55074660 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
武汉克米克生物医药技术有限公司027-87747081 18186681184 · [email protected]
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