기본 정보
- CAS
19890-00-7- 표준 SMILES
C=C1C(=O)CC2CC1C2(C)C- InChIKey
TZDMGBLPGZXHJI-UHFFFAOYSA-N- 분자식
- C10H14O
- 평균 분자량
- 150.22 g/mol
- 단동위원소 질량
- 150.10446507
개요
Pinocarvone is a bridged compound resulting from rearrangement of carvone. It has a role as a mouse metabolite. It is a member of carvones and a bridged compound.
이름 및 식별자
- 우선 이름
- Pinocarvone
- IUPAC
- 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one
- 영어명
- (±)-2(10)-pinen-3-one
- 분자식
- C10H14O
- 분자량
- 150.22
이름 및 동의어
Pinocarvone30460-92-52(10)-Pinen-3-one6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-oneBicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-methylene-(1)-2(10)-Pinen-3-oneCHEBI:28996DTXSID90865544Bicyclo(3.1.1)heptan-3-one, 6,6-dimethyl-2-methylene-6,6-dimethyl-2-methylidenebicyclo(3.1.1)heptan-3-oneRefChem:174342DTXCID10813941
이름 더 보기
pinocarvon(±)-2(10)-pinen-3-one(1R,5R)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-one
3-Nopinenone6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-onealpha-Pinocarvone16812-40-1(+/-)-2(10)-Pinen-3-one6,6-dimethyl-2-methylidene-norpinan-3-oneMFCD02184568(+/-)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-one
데이터베이스 식별자
- CAS
19890-00-7、30460-92-5- PubChem CID
- 121719
- DTXSID
DTXSID90865544- ChEBI
CHEBI:28996- EC Number
- 250-211-9
- Nikkaji
- J265.105J
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 237
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Boiling Point217.00 to 218.00 °C. @ 760.00 mm Hg
Melting Point-1.8 °C
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- 222 · 222-223 °C
- 끓는 점
- 96 · 96-98 °C(Press: 19 Torr)
- 밀도
- 0.9881 g/cm3 · 0.9881 g/cm3
- 냄새
- 100 · 100.00?%. 페퍼민트
- LogP
- 0.964 · 0.964 (est)
- EPA
- 3.1 · Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-methylene- (30460-92-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (91.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P318, P321, P332+P317, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 12 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: 2(10)-Pinen-3-one, (.+-.)-
Pinocarvone: 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.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (91.7%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
General Manufacturing InformationBicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-methylene-: INACTIVE
공급사11 곳
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
四川省维克奇生物科技有限公司18108052721 17743264324 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
苏州熙思纯生化科技有限公司13913198829 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
陕西萃康医药科技有限公司13186333400 19299362551 · [email protected]
上海藜筠生物科技有限公司13119135307
苏州中科新药篮生物医药科技有限公司
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…