4-Methoxyphenoxyacetic acid

AKOS BB/0049 · AKOS BBS-00003727 · RARECHEM AL BO 0321 · 2-(4-methoxyphenoxy)acetate · 4-METHOXYPHENOXYACETIC ACID · (4-methoxyphenoxy)-aceticaci · (P-METHOXYPHENOXY)ACETIC ACID · 4-Methoxyphenyloxyacetic acid

https://huagongshe.com/ko/chemical/74649

식별자 및 물리적 특성

CAS No.	1877-75-4
분자식	C9H10O4
평균 분자량	182.17 g/mol
단동위원소 질량	182.0579088 g/mol
SMILES	COc1ccc(OCC(=O)O)cc1
InChIKey	BHFSBJHPPFJCOS-UHFFFAOYSA-N
PubChem CID	74649
ChEMBL	CHEMBL3247397
EC No.	217-513-2
DTXSID	DTXSID2062030

화학 및 물리적 성질

XLogP	1.2
극성 표면적	55.8
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	4
무거운 원자 수	13
형식 전하	0
복잡도	161
녹는점	112-114 °C
끓는 점	275.56°C (rough estimate)
밀도	1.2481 (rough estimate)
굴절률	1.4345 (estimate)
저장 조건	Sealed in dry,Room Temperature
pKa(산도 계수)	pK1:3.213 (25°C)
BRN	1874579
InChI	InChI=1S/C9H10O4/c1-12-7-2-4-8(5-3-7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey	BHFSBJHPPFJCOS-UHFFFAOYSA-N
SMILES	C(O)(=O)COC1=CC=C(OC)C=C1
NIST	Acetic acid, (4-methoxyphenoxy)-(1877-75-4)
EPA	Acetic acid, (4-methoxyphenoxy)- (1877-75-4)

화학적 성질

BEIGE-BROWN CRYSTALLINE SOLID

안전 및 규제

GHS 분류	WarningH302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (15.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (13%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Acute Tox. 4 (87%)Skin Irrit. 2 (15.2%)Eye Irrit. 2 (15.2%)STOT SE 3 (13%)
TSCA 등재 상태	TSCA listed
관세 코드	29189990
위험 문구(R)	44-36/37/38
위험 표시	Xi
안전 문구(S)	37/39-26
위험 등급	IRRITANT