1-페닐옥탄

Octylbenzene

HCID 16607CAS 2189-60-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCCCCCc1ccccc1
InChIKey: CDKDZKXSXLNROY-UHFFFAOYSA-N
분자식: C14H22
평균 분자량: 190.32 g/mol
단동위원소 질량: 190.1721507

이름 및 식별자

우선 이름: Octylbenzene
IUPAC: octylbenzene
현지명: 1-페닐옥탄
영어명: N-OCTYLBENZENE
분자식: C14H22
분자량: 190.32

이름 및 동의어

OCTYLBENZENEn-Octylbenzene1-Phenyloctane2189-60-8Benzene, octyl-PhenyloctaneOctane, 1-phenyl-DTXSID2062240P5EAX722SINSC-404115RefChem:167906DTXCID8036570

이름 더 보기

1-페닐옥탄N-옥틸벤젠octyl-benzenoctane,1-phenyl-n-Octylbenzene>

218-582-1MFCD00009564Octylbenzoloctyl benzeneoctyl-benzeneUNII-P5EAX722SIAKOS0090973211-Phenyloctane, purum, >=98.0% (GC)

데이터베이스 식별자

CAS: 2189-60-8
PubChem CID: 16607
DTXSID: DTXSID2062240
UNII: P5EAX722SI
EC Number: 218-582-1
Nikkaji: J114.106F

물성

구조 계산 물성

XLogP: 6.6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 7
무거운 원자 수: 14
형식 전하: 0
복잡도: 111

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

LogP6.5

물리화학적 성질

녹는점: -36 °C · -36 °C (lit.)
끓는 점: 261 · 261-263 °C (lit.)
밀도: 0.858 g/mL · 0.858 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.484(lit.)
인화점: 226 °F · 226 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색의
수용성: 물과 섞이지 않습니다.
BRN: 1906253 · 1906253
Henry's Law Constant: 1.8 · 1.8×10-4 mol/(m3Pa) at 25℃, Brockbank (2013)
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI: 1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3
InChIKey: CDKDZKXSXLNROY-UHFFFAOYSA-N
SMILES: CCCCCCCCc1ccccc1
NIST: n-Octylbenzene(2189-60-8)
EPA: Benzene, octyl- (2189-60-8)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.

Not Classified

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Benzene, octyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, octyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

1-Phenyloctane: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29029090
safety_code: 23-24/25
기존화학 물질: KE-26726
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb

General Manufacturing InformationBenzene, octyl-: ACTIVE

응용 분야 · 2건

용도n-octylbenzene is used as a solvent to study the self-assembly of derivatives of tetrathiafulvalene (TTF) on graphite and their visualization by scanning tunnelling microscopy (STM). It is also involved in the study the effects and substitution of these compounds. It is also used to prepare charge-transfer complexes with fluoranil and 1,3,5-trinitrobenzene.

일반 설명Octylbenzene (1-Phenyloctane) forms charge-transfer complexes with fluoranil and 1,3,5-trinitrobenzene.