2,2,4-Trimethyl-1-pentanol

HCID 31258CAS 123-44-4

기본 정보

표준 SMILES: CC(C)CC(C)(C)CO
InChIKey: CWPPDTVYIJETDF-UHFFFAOYSA-N
분자식: C8H18O
평균 분자량: 130.23 g/mol
단동위원소 질량: 130.1357652

이름 및 식별자

우선 이름: 2,2,4-Trimethyl-1-pentanol
IUPAC: 2,2,4-trimethylpentan-1-ol
영어명: 2.2.4-TRIMETHYL-1-PENTANOL
분자식: C8H18O
분자량: 130.23

이름 및 동의어

2,2,4-TRIMETHYL-1-PENTANOL2,2,4-Trimethylpentan-1-ol123-44-41-Pentanol, 2,2,4-trimethyl-2,2,4-TrimethylpentanolDIISOPROPYL METHYL CARBINOLNSC 35410EINECS 204-628-8IX60R7GK8RBRN 1697386AI3-26041NSC-35410

이름 더 보기

2,2,4-trimethyl-1-pentano2,2,4-Trimethylpentane-1-ol

DTXSID60731584-01-00-01795 (Beilstein Handbook Reference)2,2,4TrimethylpentanolRefChem:4407202,2,4Trimethylpentan1ol1Pentanol, 2,2,4trimethylDTXCID10337931331-40-4

데이터베이스 식별자

CAS: 123-44-4
PubChem CID: 31258
DTXSID: DTXSID6073158
UNII: IX60R7GK8R
EC Number: 204-628-8
Nikkaji: J49.949H

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 74.6

실험 및 물리화학적 성질

SolventsSolvents -> Alcohols (<C12)

SpringerMaterials PropertiesBoiling point

Vapor Pressure0.49 [mmHg]

Physical DescriptionLiquid; [Aldrich MSDS]

물리화학적 성질

녹는점: -70 °C · -70°C
끓는 점: 165 °C · 165°C
밀도: 0.834 · 0.8340
굴절률: 1.428 · 1.4280
산도 계수 (pKa): 15.17 · 15.17±0.10(Predicted)
Henry's Law Constant: 5.6 · 5.6×10-1 mol/(m3Pa) at 25℃, Yaws et al. (1997)
LogP: 2.466 · 2.466 (est)
EPA: 1 · 1-Pentanol, 2,2,4-trimethyl- (123-44-4)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazards Summary · 1건

A moderate skin and eye irritant; Causes somnolence in dermal lethal-dose studies of rabbits; Causes ptosis, somnolence, and ataxia in oral lethal-dose studies of rats; [RTECS] An irritant; May cause allergic reactions in sensitive individuals; Harmful by ingestion; [Aldrich MSDS] See 1-Pentanol.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

기존화학 물질: KE-34644

화학 및 산업

용도 및 제조

Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

응용 분야

용도2,2,4-Trimethyl-1-pentanol is an aliphatic alcohol producing a fruity odor and used in the food industry as an additive.

상·하류 제품 정보

상류 원료

4-Pentenal, 2,2,4-trimethyl-1-Pentanone, 2,2,4-trimethyl-1-phenyl-Pentanoic acid, 2,2,4-trimethyl-1,3-Pentanediol, 2,2,4-trimethyl-, 1,3-diacetate 3-methyl-2-(propan-2-yl)butan-1-ol Octane, 2,4,4,5,5,7-hexamethyl-2,2,4-TRIMETHYL-3-PENTANOL 2,2,4-트리메틸펜탄니트릴 2,2,4-트리메틸-1,3-펜탄디올 2,4,4-TRIMETHYL-1-PENTANOL

하류 제품

Pentane, 2-(bromomethyl)-2,4-dimethyl-

공급사9 곳

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617

陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

BOC Sciences16314854226 · [email protected]

연결된 노트

불러오는 중…