기본 정보
- CAS
68039-44-1- 표준 SMILES
CC(C)(C)C(=O)OC1CC2CC1C1CC=CC21- InChIKey
MEAGMJILPLJCFQ-UHFFFAOYSA-N- 분자식
- C15H22O2
- 평균 분자량
- 234.33 g/mol
- 단동위원소 질량
- 234.16197994
이름 및 식별자
- 우선 이름
- Propanoic acid, 2,2-dimethyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl ester
- IUPAC
- 8-tricyclo[5.2.1.02,6]dec-3-enyl 2,2-dimethylpropanoate
- 영어명
- 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1(3)H-inden-6-yl 2,2-dimethylpropanoate
- 분자식
- C15H22O2
- 분자량
- 234.33
이름 및 동의어
68039-44-1tricyclo[5.2.1.02,6]dec-3-en-8-yl pivalateTricyclo(5.2.1.02,6)dec-3-en-8-yl pivalateEINECS 268-259-4Propanoic acid, 2,2-dimethyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl esterHexahydro-4,7-methanoinden-5(or 6)-yl pivalate3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl pivalate2,2-Dimethylpropanoic acid, tricyclo(5.2.1.02,6)dec-3-en-8-yl esterRefChem:869148268-259-4SCHEMBL2970207DTXSID5052387
이름 더 보기
peach pivalatePIVACYCLENE2,2-Dimethylpropanoicacid,tricyclo(5.2.1.02,6)dec-3-en-8-ylester2,2-Dimethylpropanoic acid=tricyclo[5.2.1.02,6]deca-3-ene-8-yl ester3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl 2,2-dimethylpropanoate3a,4,5,6,7,7a-Hexahydro-4,7-methano-1(3)H-inden-6-yl 2,2-dimethylpropanoate
MEAGMJILPLJCFQ-UHFFFAOYSA-N3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl pivalate8-tricyclo[5.2.1.02,6]dec-3-enyl 2,2-dimethylpropanoateNS000125403a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl 2,2-dimethylpropanoate
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 364
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl pivalate) -> IFRA transparency List
물리화학적 성질
- 냄새
- 100 %에서 · 100.00%에서. 과일향이 나는 복숭아 달콤한 가루 같은 녹색 꽃무늬
- 냄새 유형
- 과일 같은
- 화장품 원료 기능
- 향수
- LogP
- 4.393 · 4.393 (est)
- EPA
- Tricyclo(5.2.1.02,6)dec-3-en-8-yl pivalate (68039-44-1)
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 14.7% (223 of 1520) of reports.
Warning
H315 (85.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1520 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Propanoic acid, 2,2-dimethyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl ester
Propanoic acid, 2,2-dimethyl-, 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
Hazard Classes and CategoriesSkin Irrit. 2 (85.3%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing InformationPropanoic acid, 2,2-dimethyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl ester: ACTIVE
공급사7 곳
武汉市承天精细化工有限公司18164098996 · [email protected]
山东英朗化工有限公司18266343295 · [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]
上海问彩新材料科技有限公司15721586846 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
上海珅桔化工有限公司13167128868 13661427209 · [email protected]
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