페녹시초산
Phenoxyacetic Acid
기본 정보
- CAS
122-59-8- 표준 SMILES
O=C(O)COc1ccccc1- InChIKey
LCPDWSOZIOUXRV-UHFFFAOYSA-N- 분자식
- C8H8O3
- 평균 분자량
- 152.15 g/mol
- 단동위원소 질량
- 152.04734411
개요
Phenoxyacetic acid appears as light tan powder or white solid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Phenoxyacetic Acid
- IUPAC
- 2-phenoxyacetic acid
- 현지명
- 페녹시초산
- 영어명
- Phenoxyacetic acid
- 분자식
- C8H8O3
- 분자량
- 152.15
이름 및 동의어
PHENOXYACETIC ACID2-phenoxyacetic acid122-59-8Phenoxyethanoic acidGlycolic acid phenyl ethero-Phenylglycolic acidPhenyl ether glycolic acidGlycol acid phenyl etherGlycollic acid phenyl etherFEMA No. 2872POA cpdDTXSID9025873
이름 더 보기
페녹시초산phenoxyaceticPhenyliumPHENYLOXYL ACETIC ACID2-cyclohexyloxyacetate2-(2-((4-aminophenyl)amino)ethoxy)acetic acidPHENYLIUM(R)PHENYLIUM(TM)AKOS BBS-00003724
CHEBI:8075YRC253429QNSC-9810DTXCID405873RefChem:929029204-556-7Acetic acid, phenoxy-Phenoxy acetic acid
데이터베이스 식별자
- CAS
122-59-8- PubChem CID
- 19188
- DTXSID
DTXSID9025873- ChEMBL
CHEMBL173521- ChEBI
CHEBI:8075- UNII
- YRC253429Q
- EC Number
- 204-556-7
- Nikkaji
- J5.358I
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 127
실험 및 물리화학적 성질
LogP
1.34
1.35
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
1 to 5 mg/mL at 63 °F (NTP, 1992)
12 mg/mL at 10 °C
Slightly soluble in water; soluble in oils
Soluble at room temperature (in ethanol)
Boiling Point
545 °F at 760 mmHg (Decomposes) (NTP, 1992)
285.00 °C. @ 760.00 mm Hg
285 °C
Melting Point
208 to 212 °F (NTP, 1992)
98 - 99 °C
Physical Description
Phenoxyacetic acid appears as light tan powder or white solid. (NTP, 1992)
Solid
Colourless needle-like crystals; sour sweet odour
물리화학적 성질
- 녹는점
- 98 · 98-100 °C (lit.)
- 끓는 점
- 285 °C · 285 °C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (5 of 198) of reports.
Warning
H302 (93.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 198 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Acetic acid, phenoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenoxyacetic acid: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison Flammable Liquid
Fire HazardsFlash point data for this chemical are not available; however it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound is a mild skin irritant. (NTP, 1992)
Reactive GroupAcids, Carboxylic
Reactivity ProfilePHENOXYACETIC ACID reacts exothermically with all bases, both organic (for example, the amines) and inorganic.
Air and Water ReactionsSlightly soluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (93.4%)
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
Metabolite PathwaysRosiglitazone Metabolism Pathway
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationAcetic acid, 2-phenoxy-: ACTIVE
응용 분야
출처Reported found in cocoa beans
용도Phenoxyacetic acid is a flavoring ingredient.Its photodegradation using titanium dioxide as photocatalyst has been studied. Selective separation of penicillin V from phenoxyacetic acid using liquid membranes consisting of 1,2-dichloroethane and Amberlite LA-2 as carrier has been studied.
일반 설명Light tan powder or white solid.
상·하류 제품 정보
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