6-Isopropylquinoline

HCID 67285

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 135-79-5
표준 SMILES: CC(C)c1ccc2ncccc2c1
InChIKey: NKCQEIXYLHACJC-UHFFFAOYSA-N
분자식: C12H13N
평균 분자량: 171.24 g/mol
단동위원소 질량: 171.10479942

이름 및 식별자

우선 이름: 6-Isopropylquinoline
IUPAC: 6-propan-2-ylquinoline
영어명: 6-Isopropylquinoline
분자식: C12H13N
분자량: 171.24

이름 및 동의어

6-Isopropylquinoline135-79-5Quinoline, 6-(1-methylethyl)-6-(Isopropyl)quinoline8GE3N8WV7YEINECS 205-220-2AI3-36194QUINOLINE, 6-ISOPROPYL-6(Isopropyl)quinolineRefChem:543494Quinoline, 6(1methylethyl)205-220-2

이름 더 보기

ISOPROPYL QUINOLINE6-Isopropylquinoline>6-ISOPROPYLQUINOLINE 97+%6-(1-methylethyl)-quinolin6-(1-methylethyl)-Quinoline6-Isopropylquinoline, ≥ 97.0%6-ISOPROPYLQUINOLINE ISO 9001：2015 REACH

6-propan-2-ylquinoline6-(1-Methylethyl)quinoline6-(propan-2-yl)quinolineMFCD00047615DTXSID9047465UNII-8GE3N8WV7YSCHEMBL112749CHEMBL3183913

데이터베이스 식별자

CAS: 135-79-5
PubChem CID: 67285
DTXSID: DTXSID9047465
ChEMBL: CHEMBL3183913
UNII: 8GE3N8WV7Y
EC Number: 205-220-2
Nikkaji: J184.395H

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 165

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Quinolines

FragrancesFragrance Ingredient (6-Isopropylquinoline) -> IFRA transparency List

Vapor Pressure0.01 [mmHg]

Physical DescriptionColorless to yellow liquid with an earthy, woody odor; [Bedoukian Research MSDS]

Collision Cross Section138.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID9047465]

물리화학적 성질

끓는 점: 143 °C · 143°C 12mm
밀도: 1 · 1,02 g/cm3
굴절률: 1.588 · 1.5880-1.5920
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
산도 계수 (pKa): 5.16 · 5.16±0.10(Predicted)
색상: Colorless to Light yellow to Light orange
Specific Gravity: 1.02 · 1.02
냄새: 1 % · 디프로필렌 글리콜 중 1.00%. 잡초가 많은 녹색 금속성 흙이 많은 잎이 많은 피질 페놀성 견과류
냄새 유형: 녹색
화장품 원료 기능: 향수
LogP: 3.537 · 3.537 (est)
EPA: 6 · Quinoline, 6-(1-methylethyl)- (135-79-5)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 316 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Quinoline, 6-(1-methylethyl)-

Quinoline, 6-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Quinoline, 6-(1-methylethyl)-: Environment tier I assessment

Hazards SummaryAn irritant; No skin sensitization observed in humans at 2% in petrolatum; Harmful by ingestion; Toxic by skin contact; [Bedoukian Research MSDS] See Quinoline.

Hazard Classes and CategoriesAcute Tox. 4 (99.7%)