4-Dodecylphenol

HCID 66030

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 104-43-8
표준 SMILES: CCCCCCCCCCCCc1ccc(O)cc1
InChIKey: KJWMCPYEODZESQ-UHFFFAOYSA-N
분자식: C18H30O
평균 분자량: 262.4 g/mol
단동위원소 질량: 262.22966558

개요

4-Dodecylphenol is a member of phenols.

이름 및 식별자

우선 이름: 4-Dodecylphenol
IUPAC: 4-dodecylphenol
영어명: 4-DODECYLPHENOL
분자식: C18H30O
분자량: 262.43

이름 및 동의어

4-Dodecylphenol104-43-8Phenol, 4-dodecyl-p-DodecylphenolPhenol, p-dodecyl-4-n-dodecylphenolMFCD00039521Para-dodecyl phenolCHEMBL194881DTXSID10225084-DODECYLBENZOLOLEZF5Y6P2G8

이름 더 보기

PDDP4-laurylphenolP-LAURYLPHENOL4-dodecyl-phenoPARA-DODECYLPHENOL

UNII-EZF5Y6P2G8p-dodecyl phenol4-dodecyl phenolEINECS 203-202-9J104.968BSCHEMBL18082BIDD:ER0007DTXCID402508

데이터베이스 식별자

CAS: 104-43-8
PubChem CID: 66030
DTXSID: DTXSID1022508
ChEMBL: CHEMBL194881
ChEBI: CHEBI:34402
UNII: EZF5Y6P2G8
EC Number: 203-202-9
Nikkaji: J104.968B

물성

구조 계산 물성

XLogP: 7.5
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 11
무거운 원자 수: 19
형식 전하: 0
복잡도: 182

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phenols

LogP7.91

Endocrine DisruptorsPotential endocrine disrupting compound

Vapor Pressure0.0000023 [mmHg]

Physical DescriptionStraw-colored liquid with a phenolic odor; [Fisher Scientific MSDS]

물리화학적 성질

녹는점: 78 °C · 78°C (estimate)
끓는 점: 310 · 310-335 °C(lit.)
밀도: 0.94 g/mL · 0.94 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.503(lit.)
인화점: 230 °F · >230 °F
산도 계수 (pKa): 10.14 · 10.14±0.15(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
EPA: 4 · 4-Dodecylphenol (104-43-8)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H314 (73.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P203, P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P321, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 34 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

유해성 정보

Regulatory Information · 2건

Chemical: Phenol, 4-dodecyl-

Phenol, 4-dodecyl-: 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.

Other Safety InformationEvaluation - Dodecylphenols

Hazards SummaryMay cause irritation; [Fisher Scientific MSDS] See Dodecylphenol.

Hazard Classes and Categories · 2건

Skin Corr. 1B (73.5%)

Hazardous to the aquatic environment (Acute) - Category 1