2-Tetralone (HCID 68266)

이름 및 식별자

우선 이름: 2-Tetralone
IUPAC: 3,4-dihydro-1H-naphthalen-2-one
영어명: beta-Tetralone
분자식: C10H10O
분자량: 146.19

이름 및 동의어

beta-Tetralone2-Tetralone530-93-81,2,3,4-Tetrahydro-2-naphthalenone2(1H)-Naphthalenone, 3,4-dihydro-3,4-Dihydro-2(1H)-naphthalenoneK46ZZ833BHNSC-87083DTXSID0060193RefChem:410527DTXCID1041340208-498-3

이름 더 보기

β-Tetralone2(1H)-NaphthalenoneB-TETRALONE

1,2,3,4-Tetrahydronaphthalen-2-one3,4-dihydronaphthalen-2(1H)-one3,4-Dihydro-1H-naphthalen-2-one3,4-Dihydro-2-oxonaphthalene.beta.-TetraloneMFCD00001727CHEMBL1916643,4-Dihydro-2(1H)naphthalenone

데이터베이스 식별자

CAS: 530-93-8
PubChem CID: 68266
DTXSID: DTXSID0060193
ChEMBL: CHEMBL191664
UNII: K46ZZ833BH
EC Number: 208-498-3
Nikkaji: J6.975B

물성

구조 계산 물성

XLogP: 1.6
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: 162

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 18 °C · 18 °C(lit.)
끓는 점: 131 °C11 · 131 °C11 mm Hg(lit.)
밀도: 1.106 g/mL · 1.106 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.560(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 액체 또는 저융점 고체
색상: 맑은 연한 노란색
수용성: 불용성
BRN: 509386 · 509386
InChI: 1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
InChIKey: KCKZIWSINLBROE-UHFFFAOYSA-N
SMILES: O=C1CCc2ccccc2C1
NIST: 2 · 2(1H)-Naphthalenone, 3,4-dihydro-(530-93-8)
EPA: 2 · 2-Tetralone (530-93-8)

화학적 성질

Liquid colorless to yellow

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information2(1H)-Naphthalenone, 3,4-dihydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29143900
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36
F 고인화성물질: 10
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information2(1H)-Naphthalenone, 3,4-dihydro-: ACTIVE

응용 분야 · 1건

용도β-Tetralone is the 2-keto derivative of Tetralin. β-Tetralone was initially reported to be a metabolite of Tetralin but was later found to be just an artifact in the metabolism process. β-Tetralone is known to be biological marker in fossil fuels.