2-메틸-1-나프톨

2-Methyl-1-naphthol

HCID 24055CAS 7469-77-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc2ccccc2c1O
InChIKey: SRJCJJKWVSSELL-UHFFFAOYSA-N
분자식: C11H10O
평균 분자량: 158.2 g/mol
단동위원소 질량: 158.07316494

개요

structure in first source

이름 및 식별자

우선 이름: 2-Methyl-1-naphthol
IUPAC: 2-methylnaphthalen-1-ol
현지명: 2-메틸-1-나프톨
영어명: 2-Methyl-1-naphthol
분자식: C11H10O
분자량: 158.2

이름 및 동의어

2-Methyl-1-naphthol7469-77-41-Naphthol, 2-methyl-COU5JQ433INSC-402211DTXSID50225665RefChem:474903DTXCID80148156231-265-22-methylnaphthalen-1-ol1-Naphthalenol, 2-methyl-1-hydroxy-2-methylnaphthalene

이름 더 보기

2-메틸-1-나프톨NSC 4022112-Methyl-1-naphthalenol2-Methyl-1-naphthol 98%2-Methyl-1-hydroxynaphthalene

methylnaphtolMFCD000039642-Methyl-alpha-naphthol2-methyl-naphthol2-Methyl-a-naphtholEINECS 231-265-22-Methyl-.alpha.-naphthol2-Methyl-1-naphthol, 98%

데이터베이스 식별자

CAS: 7469-77-4
PubChem CID: 24055
DTXSID: DTXSID50225665
ChEMBL: CHEMBL122451
UNII: COU5JQ433I
EC Number: 231-265-2
Nikkaji: J130.656A

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 155

실험 및 물리화학적 성질

CosmeticsHair dyeing

물리화학적 성질

녹는점: 64 · 64-66 °C (lit.)
끓는 점: 304.3 · 304.3±11.0 °C(Predicted)
밀도: 1.144 · 1.144±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
물리적 상태: solid
산도 계수 (pKa): 9.94 · 9.94±0.50(Predicted)
화장품 원료 기능: 머리 염색
InChI: InChI=1S/C11H10O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7,12H,1H3
InChIKey: SRJCJJKWVSSELL-UHFFFAOYSA-N
SMILES: C1(O)=C2C(C=CC=C2)=CC=C1C
LogP: 3.17 · 3.170 (est)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 46.2% (36 of 78) of reports.

Danger

H315 (53.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (53.8%)

안전 데이터

wgk: 3
HS 번호: 2906290090
risk_code: 37/38-41
hazard_code: Xi
safety_code: 26-39
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Use ClassificationCosmetics -> Hair dyeing

응용 분야 · 2건

용도2-Methyl-1-naphthol was used in selective synthesis of vitamin K3 via liquid-phase oxidation using NbSBA-15 catalyst.

일반 설명2-Methyl-1-naphthol undergoes oxidation with molecular oxygen to yield 2-methyl-1,4-naphthoquinone. Mechanism of selective oxidation of 2-methyl-1-naphthol with H2O2 catalyzed by titanium single-site catalysts, TiO2-SiO2 aerogel and mesostructured hydrothermally stable titanium-silicate has been investigated by EPR spectroscopic technique.