6-메틸-1,2,3,4-테트라하이드로퀴놀린

6-Methyl-1,2,3,4-tetrahydroquinoline

HCID 66678CAS 91-61-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc2c(c1)CCCN2
InChIKey
XOKMRXSMOHCNIX-UHFFFAOYSA-N
분자식
C10H13N
평균 분자량
147.22 g/mol
단동위원소 질량
147.10479942

개요

structure in first source

이름 및 식별자

우선 이름
6-Methyl-1,2,3,4-tetrahydroquinoline
IUPAC
6-methyl-1,2,3,4-tetrahydroquinoline
현지명
6-메틸-1,2,3,4-테트라하이드로퀴놀린
영어명
6-METHYL-1,2,3,4-TETRAHYDROQUINOLINE
분자식
C10H13N
분자량
147.22

이름 및 동의어

6-Methyl-1,2,3,4-tetrahydroquinoline91-61-21,2,3,4-Tetrahydro-6-methylquinolinep-MethyltetrahydroquinolineQuinoline, 1,2,3,4-tetrahydro-6-methyl-DTXSID60474440I67838Y8KNSC-65606DTXCID4027444MTHQ-6 cpdRefChem:104974202-083-0
이름 더 보기
6-메틸-1,2,3,4-테트라하이드로퀴놀린AKOS BB-9794AKOS B016030ART-CHEM-BB B0160306-ethoxy-2-methyl-2-hexanol6-methyltetrahydroquinolinePara-Methyl TetrahydroquinolineTETRAHYDRO PARA METHYL QUINOLINE
CivettalMFCD00023887130870-84-7UNII-0I67838Y8K6-methyl-1,2,3,4-tetrahydro-quinoline6-Methyl-1,3,4-tetrahydroquinolineFS-5625Quinoline,2,3,4-tetrahydro-6-methyl-

데이터베이스 식별자

CAS
91-61-2
PubChem CID
66678
DTXSID
DTXSID6047444
ChEMBL
CHEMBL3188227
UNII
0I67838Y8K
EC Number
202-083-0
Nikkaji
J39.746F

물성

구조 계산 물성

XLogP
2.7
극성 표면적
12 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
11

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (p-Methyltetrahydroquinoline) -> IFRA transparency List
Collision Cross Section134.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6047444]

물리화학적 성질

녹는점
36 · 36-38°C
끓는 점
262 · 262-263°C 712mm
밀도
0.99 · 0.990±0.06 g/cm3(Predicted)
인화점
262 · 262-263°C/712mm
저장 조건
2 · 2-8°C, protect from light
산도 계수 (pKa)
5.69 · 5.69±0.20(Predicted)

화학적 성질

Yellowish crystals; strong, civet-like odor. Soluble in 2 parts of 80% alcohol. Combustible.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 1680 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Quinoline, 1,2,3,4-tetrahydro-6-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Quinoline, 1,2,3,4-tetrahydro-6-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (99.9%)

안전 데이터

tsca
TSCA listed
HS 번호
2933499090
risk_code
20/21/22
safety_code
26-36/37/39

화학 및 산업

용도 및 제조

IFRA Fragrance Standards · 6건

p-Methyltetrahydroquinoline

6-Methyl-1,2,3,4-tetrahydroquinoline; Quinoline, 1,2,3,4-tetrahydro-6-methyl-; 1,2,3,4-Tetrahydro-6-methylquinoline; Tetrahydro-p-methylquinoline

IFRA_STD_215.pdf

44

IFRA 51st Amendment - Guidance for the use of IFRA Standards

Specification: This material should be used only if it meets the criteria stated in the Standard

Use ClassificationFragrance Ingredients
General Manufacturing InformationQuinoline, 1,2,3,4-tetrahydro-6-methyl-: ACTIVE

응용 분야

용도6-Methyl-1,2,3,4-tetrahydroquinoline is used as pharmaceutical intermediate.

제조 방법

Tetra Hydro Para Methyl Quinoline is prepared from 6-Methylquinoline hydrochloride by reduction with nascent Hydrogen, followed by neutralization.

상·하류 제품 정보

공급사50 곳

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

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