4,7-Methano-5H-inden-5-one, octahydro-

HCID 96509CAS 13380-94-4

기본 정보

표준 SMILES: O=C1CC2CC1C1CCCC21
InChIKey: OMIDXVJKZCPKEI-UHFFFAOYSA-N
분자식: C10H14O
평균 분자량: 150.22 g/mol
단동위원소 질량: 150.10446507

이름 및 식별자

우선 이름: 4,7-Methano-5H-inden-5-one, octahydro-
IUPAC: tricyclo[5.2.1.02,6]decan-8-one
영어명: TRICYCLO[5.2.1.02,6]DECAN-8-ONE
분자식: C10H14O
분자량: 150.22

이름 및 동의어

4,7-Methano-5H-inden-5-one, octahydro-Tricyclo[5.2.1.02,6]decan-8-oneTricyclo(5.2.1.02,6)decane-8-oneEINECS 236-458-54,7-Methanoindan-5(4H)-one, tetrahydro-NSC 77098DTXSID90474638-Ketotricyclo(5.2.1.0(sup2,6))decaneTricyclo(5.2.1.02,6)decan-8-oneBRN 19079678-Oxotricyclo(5.2.1.0(sup2,6))decaneAI3-12157

이름 더 보기

Octahydro-5H-4,7-methanoinden-5-oneCorodanetricyclodecane-8-oneTRICYCLO[5.2.1.0]DECAN-8-ONETricyclo[5.2.1.02.6]-8-decanoneTRICYCLO[5.2.1.02'6]DECAN-8-ONETricyclo[5.2.1.0(2,6)]decanone-8-Oxotricyclo[5.2.1.0(2,6)]decane

8-Oxotricyclo(5.2.1.0(sup 2,6))decane8-Ketotricyclo(5.2.1.0(sup 2,6))decaneTricyclo(5.2.1.0(sup 2,6))decan-8-oneDTXCID70274632-07-00-00133 (Beilstein Handbook Reference)Tricyclo[5.2.1.02,6]decane-8-one8-Ketotricyclo[5.2.1.0(sup2,6)]decane8-Oxotricyclo[5.2.1.0(sup2,6)]decane

데이터베이스 식별자

CAS: 13380-94-4
PubChem CID: 96509
DTXSID: DTXSID9047463
ChEMBL: CHEMBL3188674
EC Number: 236-458-5
Nikkaji: J48.660D

물성

구조 계산 물성

XLogP: 2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 209

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (Tricyclo[5.2.1.02,6]decan-8-one) -> IFRA transparency List

물리화학적 성질

끓는 점: 132 °C · 132 °C / 30mmHg
밀도: 1.05 · 1.05
굴절률: 1.5 to · 1.5000 to 1.5030
인화점: 102 °C · 102 °C
저장 조건: 2 · Storage temp. 2-8°C
수용성: 물에 약간 용해됨
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
화장품 원료 기능: 향수
LogP: 2.017 · 2.017 (est)
EPA: 4 · 4,7-Methano-5H-inden-5-one, octahydro- (13380-94-4)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 86.1% (205 of 238) of all reports.

Warning

H302+H312 (12.2%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 238 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: 4,7-Methano-5H-inden-5-one, octahydro-

Other Safety InformationIMAP assessments - 4,7-Methano-5H-inden-5-one, octahydro-: Environment tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (13.4%)

안전 데이터

tsca: TSCA listed
rtecs: PC0350000
독성: LD50 orl-rat: 710 mg/kg TXAPA9 28,313,74
HS 번호: 2914.29.5000

화학 및 산업

용도 및 제조

Use ClassificationFragrance Ingredients

General Manufacturing Information4,7-Methano-5H-inden-5-one, octahydro-: ACTIVE

응용 분야 · 1건

용도Octahydro-4,7-methano-5H-inden-5-one is a useful synthetic intermediate. It is used as a reagent to synthesize hindered olefins such as diamantanol. It can also be used as a reagent to enhance the glass transition temperature of polymethyl methacrylate (PMMA).