4-Pentylphenol

HCID 26975

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 14938-35-3
표준 SMILES: CCCCCc1ccc(O)cc1
InChIKey: ZNPSUQQXTRRSBM-UHFFFAOYSA-N
분자식: C11H16O
평균 분자량: 164.24 g/mol
단동위원소 질량: 164.12011513

개요

4-n-Pentylphenol is a member of phenols.

이름 및 식별자

우선 이름: 4-Pentylphenol
IUPAC: 4-pentylphenol
영어명: 4-Pentylphenol
분자식: C11H16O
분자량: 164.24

이름 및 동의어

4-PENTYLPHENOL14938-35-34-n-Pentylphenol4-AmylphenolPhenol, 4-pentyl-4-n-Amylphenolp-AmylphenolPhenol, p-pentyl-DTXSID904416440069Q368QDTXCID7024164RefChem:100310

이름 더 보기

P-N-PENTYLPHENOL5PO4-pentyl-phenop-pentyl-phenoP-N-AMYL PHENOL

239-015-4p-PentylphenolAmyl p-hydroxybenzene4-Pentyl-phenolp-Hydroxy-n-pentylbenzenep-n-Amylphenol1219805-30-7MFCD00020211

데이터베이스 식별자

CAS: 14938-35-3
PubChem CID: 26975
DTXSID: DTXSID9044164
ChEMBL: CHEMBL153388
ChEBI: CHEBI:34441
UNII: 40069Q368Q
EC Number: 239-015-4
Nikkaji: J34.565B

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 104

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

LogP4.06

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section146.9 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9044164]

물리화학적 성질

녹는점: 23 · 23-25 °C
끓는 점: 342 °C · 342 °C
밀도: 0.96 g/mL · 0.960 g/mL at 20 °C (lit.)
증기 밀도: 5.66 · 5.66
굴절률: 20 · n20/D 1.515
인화점: 133 °C · 133 °C
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 10.26 · 10.26±0.13(Predicted)
물리적 상태: 액체
Specific Gravity: 0.966 · 0.966
색상: White or Colorless to Light yellow
수용성: 99.99 mg/L · 99.99mg/L(25℃)
BRN: 1364424 · 1364424
InChI: 1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3
InChIKey: ZNPSUQQXTRRSBM-UHFFFAOYSA-N
SMILES: CCCCCc1ccc(O)cc1
NIST: P-n-amyl phenol(14938-35-3)
EPA: 4 · 4-Pentylphenol (14938-35-3)

화학적 성질

CLEAR LIGHT YELLOW TO LIGHT BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationPhenol, 4-pentyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1C (97.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: SM6750000
ridadr: UN 2430 8/PG 1
HS 번호: 29071990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects