3-Phenoxybenzyl alcohol (HCID 26295)

개요

(3-phenoxyphenyl)methanol is a member of the class of benzyl alcohols that is benzyl alcohol bearing a phenoxy substituent at C-3. It is a metbaolite of the insecticide permethrin. It has a role as a marine xenobiotic metabolite. It is a member of benzyl alcohols and an aromatic ether.

이름 및 식별자

우선 이름: 3-Phenoxybenzyl alcohol
IUPAC: (3-phenoxyphenyl)methanol
현지명: 페녹시벤질(3-)알코올
영어명: 3-Phenoxybenzyl alcohol
분자식: C13H12O2
분자량: 200.23

이름 및 동의어

(3-Phenoxyphenyl)methanol3-Phenoxybenzyl alcohol13826-35-2m-Phenoxybenzyl alcohol3-Phenoxybenzenemethanol3-PhenoxybenzylalcoholBenzenemethanol, 3-phenoxy-3-(Hydroxymethyl)diphenyl etherBENZYL ALCOHOL, m-PHENOXY-DTXSID70277561-hydroxymethyl-3-phenoxybenzene04964J25DQ

이름 더 보기

3-펜옥시벤질알코올페녹시벤질(3-)알코올3-펜옥시벤질 알코올3-PBAmpbdMeta Phenoxy Benzal Alcohol3-Phenoxybenzy3-phenoxybenzylRARECHEM AL BD 00583-PhenoxyBenzalcoholPermethrinEPImpurityHYDROXYMETHYLDIPHENYL

DTXCID007756CHEBI:62527RefChem:504782237-525-1MFCD00004636(3-phenoxy-phenyl)-methanolm-phenoxy-benzyl alcohol3-Phenoxylbenzyl alcohol

데이터베이스 식별자

CAS: 13826-35-2
PubChem CID: 26295
DTXSID: DTXSID7027756
ChEMBL: CHEMBL1869836
ChEBI: CHEBI:62527
UNII: 04964J25DQ
EC Number: 237-525-1
Nikkaji: J60.251E

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 175

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Aromatic Compounds

Pesticides · 3건

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Pesticides -> Insecticides -> Pyrethroid insecticides -> Pyrethroid ester insecticides -> Transformation products

Pesticide degradation product

Physical DescriptionColorless or light yellow liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 4 · 4-7°C
끓는 점: 135 · 135-140 °C/0.1 mmHg (lit.)
밀도: 1.149 g/mL · 1.149 g/mL at 25 °C (lit.)
증기압: 0.1 mm · 0.1 mm Hg ( 37.7 °C)
굴절률: 20 · n20/D 1.591(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체 또는 액체
산도 계수 (pKa): 14.19 · 14.19±0.10(Predicted)
색상: 흰색 또는 투명한 무색
수용성: 불용성
BRN: 475312 · 475312
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI: 1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2
InChIKey: KGANAERDZBAECK-UHFFFAOYSA-N
SMILES: OCc1cccc(Oc2ccccc2)c1
LogP: 2.797 at · 2.797 at 25℃
NIST: 3 · Benzenemethanol, 3-phenoxy-(13826-35-2)
EPA: 3 · 3-Phenoxybenzenemethanol (13826-35-2)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 131 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenemethanol, 3-phenoxy-

Status: Cease Manufacture Update: 31-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17461

Benzenemethanol, 3-phenoxy-: 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.

Hazards Summary · 1건

A mild eye irritant; Causes muscle weakness and dermatitis in dermal lethal-dose studies of rabbits; Causes effects to transaminases in inhalation lethal-concentration studies of rats; Causes other degenerative changes to brain in oral lethal-dose studies of mice; Causes somnolence, ataxia, and dyspnea in oral lethal-dose studies of rats; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See Phenyl ether.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Toxicity DataLC (rat) = 2,000 mg/m3/1hr

USGS Health-Based Screening Levels for Evaluating Water-Quality · 3건

3-Phenoxybenzyl alcohol

Pesticide degradation product

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DP0775400
ridadr: UN 3082 9 / PGIII
독성: mouse,LD50,intraperitoneal,575mg/kg (575mg/kg),Journal of Agricultural and Food Chemistry. Vol. 25, Pg. 9, 1977.
HS 번호: 29062990
risk_code: 22
hazard_code: Xn,Xi
safety_code: 26-36/37-29
기존화학 물질: KE-28254
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Metabolism/Metabolites(3-Phenoxyphenyl)methanol is a known human metabolite of trans-Permethrin.

용도 및 제조

Use Classification · 2건

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Pesticides -> Insecticides -> Pyrethroid insecticides -> Pyrethroid ester insecticides -> Transformation products

General Manufacturing InformationBenzenemethanol, 3-phenoxy-: ACTIVE

응용 분야

용도3-Phenoxybenzyl alcohol has been used in the synthesis of 3-phenoxylbenzyl β-D-glucuronide.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

추가 설명

정의ChEBI: A member of the class of benzyl alcohols that is benzyl alcohol bearing a phenoxy substituent at C-3. It is a metbaolite of the insecticide permethrin.

연결된 노트

불러오는 중…

페녹시벤질(3-)알코올

기본 정보

개요