4-Methylphenethyl alcohol (HCID 95294)

이름 및 식별자

우선 이름: 4-Methylphenethyl alcohol
IUPAC: 2-(4-methylphenyl)ethanol
영어명: 2-(4-Methylphenyl)ethanol
분자식: C9H12O
분자량: 136.19

이름 및 동의어

699-02-52-(4-Methylphenyl)ethanol4-Methylphenethyl alcohol2-p-TolylethanolBenzeneethanol, 4-methyl-p-Methylphenethyl alcohol4-Methylbenzeneethanol2-(p-Methylphenyl)ethanolPhenethyl alcohol, p-methyl-p-Methylphenylethyl alcoholNSC 5295NSC 54360

이름 더 보기

2-(P-TOLYL)ETHANOLtridecyl sulfate2-(p-Tolyl)ethanol>P-Methylphenylethanol4-methyl-benzeneethano4-methyl-Benzeneethanol

NSC-5295GG36R9LNV84-methylphenethanolP-(2-HYDROXYETHYL)TOLUENE4-methyl-1-(2-hydroxyethyl)benzeneEINECS 211-824-7NSC-54360AI3-05848

데이터베이스 식별자

CAS: 699-02-5
PubChem CID: 95294
DTXSID: DTXSID6061020
UNII: GG36R9LNV8
EC Number: 211-824-7
Nikkaji: J60.248E

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 82.7

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (2-p-Tolylethanol) -> IFRA transparency List

물리화학적 성질

끓는 점: 244 · 244-245 °C(lit.)
밀도: 0.978 g/mL · 0.978 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.526(lit.)
인화점: 225 °F · 225 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 14.92 · 14.92±0.10(Predicted)
Specific Gravity: 0.978 · 0.978
색상: Colorless to Light yellow to Light orange
냄새: 100 %에서 · 100.00%에서. 꽃 발사믹 로즈 그린
냄새 유형: 꽃향기
화장품 원료 기능: 향수
InChI: InChI=1S/C9H12O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,6-7H2,1H3
InChIKey: DAVFJRVIVZOKKS-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=C(C)C=C1
LogP: 2.032 · 2.032 (est)
EPA: 4 · Benzeneethanol, 4-methyl- (699-02-5)

화학적 성질

Colorless to faintly Light yellow to Light orange clear liquid.

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.

Not Classified

Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationChemical: Benzeneethanol, 4-methyl-

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29062990
safety_code: 24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Use ClassificationFragrance Ingredients

General Manufacturing InformationBenzeneethanol, 4-methyl-: ACTIVE

응용 분야 · 2건

개요2-(4-Methylphenyl)ethanol, also known as 4-Methylphenethyl alcohol, 2-(p-Tolyl)ethanol, is an oily liquid that can promote bile secretion and protect the liver. It is capable of transporting fat from the liver to the extrahepatic fat pool via the bloodstream and has demonstrated a significant inhibitory effect on liver cell destruction caused by alcoholism.

용도4-Methylphenethyl alcohol was used in the determination of adducts of 1,2- and 1,4-benzoquinone with cysteine residues of hemoglobin and albumin.

제조 방법 · 1건

To prepare 2-(4-Methylphenyl)ethanol, start with 4'-Methylacetophenone as the raw material. Reduce it to 4-methyl-α-phenylethanol using sodium borohydride in ethanol. Mix nicotinic acid with phosphorus oxychloride in pyridine to create nicotinyl chloride. Without separation, add the nicotinyl chloride to the 4-methyl-α-phenylethanol and esterify it into 2-(4-Methylphenyl)ethanol.