4-Methoxyphenylacetic Acid

HCID 7690CAS 104-01-8

기본 정보

표준 SMILES
COc1ccc(CC(=O)O)cc1
InChIKey
NRPFNQUDKRYCNX-UHFFFAOYSA-N
분자식
C9H10O3
평균 분자량
166.17 g/mol
단동위원소 질량
166.06299418

개요

4-methoxyphenylacetic acid appears as pale yellow or off white colored flakes. Severely irritates skin and eyes. May be toxic by ingestion.

이름 및 식별자

우선 이름
4-Methoxyphenylacetic Acid
IUPAC
2-(4-methoxyphenyl)acetic acid

이름 및 동의어

4-Methoxyphenylacetic acid104-01-82-(4-methoxyphenyl)acetic acidHomoanisic acidBenzeneacetic acid, 4-methoxy-p-Methoxyphenylacetic acid(4-Methoxyphenyl)acetic acid4-Methoxybenzeneacetic acid2-(p-Anisyl)acetic acid(p-Methoxyphenyl)acetic acidp-Anisylacetic acidHomoanisate
이름 더 보기
NSC 27799EINECS 203-166-4Acetic acid, (p-methoxyphenyl)-4-methoxyphenylacetatep-Methoxy-alpha-toluic acidAJP2V8U5K6Homo-p-anisic acidAcetic acid, p-methoxyphenyl-

데이터베이스 식별자

CAS
104-01-8
PubChem CID
7690
DTXSID
DTXSID1059288
ChEMBL
CHEMBL1760597
ChEBI
CHEBI:55501
UNII
AJP2V8U5K6
EC Number
203-166-4
Nikkaji
J10.116H

물성

구조 계산 물성

XLogP
1.4
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
12

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift
LogP · 2건

1.42

1.48

Solubility18 mg/mL
Boiling Point138.00 to 140.00 °C. @ 3.00 mm Hg
Melting Point87 °C
Physical Description · 2건

4-methoxyphenylacetic acid appears as pale yellow or off white colored flakes. Severely irritates skin and eyes. May be toxic by ingestion.

Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (> 99.9%): 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 1334 reports by companies from 8 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Benzeneacetic acid, 4-methoxy-

Status: Cease Manufacture Update: 30-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18981

4-Methoxphenylacetic Acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzeneacetic acid, 4-methoxy-: Human health tier I assessment
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Reactive GroupAcids, Carboxylic

안전 및 보호

Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
First AidExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzeneacetic acid, 4-methoxy-: ACTIVE

관련 반응

1,382건

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