2,6,6-트리메틸비시클로[3.1.1]헵탄-3-카르브알데히드

Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-

HCID 108415

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 60113-43-1
표준 SMILES: CC1C(C=O)CC2CC1C2(C)C
InChIKey: VUNCLQCPKWLBRY-UHFFFAOYSA-N
분자식: C11H18O
평균 분자량: 166.26 g/mol
단동위원소 질량: 166.13576519

이름 및 식별자

우선 이름: Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-
IUPAC: 2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde
현지명: 2,6,6-트리메틸비시클로[3.1.1]헵탄-3-카르브알데히드
영어명: 2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde
분자식: C11H18O
분자량: 166.26

이름 및 동의어

2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTANE-3-CARBALDEHYDEEINECS 262-062-72,6,6-Trimethylbicyclo(3.1.1)heptane-3-carbaldehydeBicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-DTXSID10866790EC 262-062-7Bicyclo(3.1.1)heptane-3-carboxaldehyde, 2,6,6-trimethyl-RefChem:568220DTXCID80815033262-062-760113-43-1(+)-3-formylpinane

이름 더 보기

2,6,6-트리메틸비시클로[3.1.1]헵탄-3-카르브알데히드3-Formylpinenepinane carbaldehyde2,6,6-Trimethylbicyclo[3,3,1]heptane-3-carboxadehyde2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxaldehyde

3-formylpinane(-)-3-formylpinaneSCHEMBL2852181DB-302495NS00003951

데이터베이스 식별자

CAS: 60113-43-1
PubChem CID: 108415
DTXSID: DTXSID10866790
EC Number: 262-062-7
Nikkaji: J298.780E

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 207

물리화학적 성질

끓는 점: 223 ℃[at · 223℃[at 101 325 Pa]
밀도: 0.952 · 0.952[at 20℃]
증기압: 3.2 Pa · 3.2Pa at 20℃
수용성: 46 mg/L · 46mg/L at 20℃
화장품 원료 기능: 향수
LogP: 4.2 at · 4.2 at 25℃
EPA: 3.1 · Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl- (60113-43-1)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (12.4%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (66.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (66.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H411 (66.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 194 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 31-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10772

Hazard Classes and CategoriesFlam. Liq. 3 (12.4%)；Acute Tox. 4 (66.5%)；Skin Irrit. 2 (100%)；Skin Sens. 1A (66.5%)；Aquatic Chronic 2 (66.5%)

규제 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 31-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10772

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing InformationBicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-: ACTIVE

공급사4 곳

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

重庆福腾医药有限公司18696571988 · [email protected]

BOC Sciences[email protected]

XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

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