(3,4-디메톡시페닐)아세트산

(3,4-Dimethoxyphenyl)acetic acid

HCID 7139CAS 93-40-3

기본 정보

표준 SMILES
COc1ccc(CC(=O)O)cc1OC
InChIKey
WUAXWQRULBZETB-UHFFFAOYSA-N
분자식
C10H12O4
평균 분자량
196.2 g/mol
단동위원소 질량
196.07355886

이름 및 식별자

우선 이름
(3,4-Dimethoxyphenyl)acetic acid
IUPAC
2-(3,4-dimethoxyphenyl)acetic acid
현지명
(3,4-디메톡시페닐)아세트산
영어명
(3,4-Dimethoxyphenyl)acetic acid
분자식
C10H12O4
분자량
196.2

이름 및 동의어

93-40-3Homoveratric acid3,4-Dimethoxyphenylacetic acid2-(3,4-dimethoxyphenyl)acetic acid(3,4-DIMETHOXYPHENYL)ACETIC ACIDBenzeneacetic acid, 3,4-dimethoxy-3,4-Dimethoxybenzeneacetic acidYY50GIT3C7NSC-2753NSC-27897DTXSID5059086CHEBI:86655
이름 더 보기
(3,4-디메톡시페닐)아세트산Homoveratrumic acidNSC 2753NSC 27897AKOS 90105Ivabradin-3ASISCHEM P20560AKOS BBS-00003748
RefChem:788470DTXCID6048836202-244-5(3,4-Dimethoxyphenyl) Acetic Acid3,4-Dimethoxyphenyl acetic acid(3,4-Dimethoxy-phenyl)-acetic acidAcetic acid, (3,4-dimethoxyphenyl)-MFCD00004335

데이터베이스 식별자

CAS
93-40-3
PubChem CID
7139
DTXSID
DTXSID5059086
ChEBI
CHEBI:86655
UNII
YY50GIT3C7
EC Number
202-244-5
Nikkaji
J46.682D

물성

구조 계산 물성

XLogP
1
극성 표면적
55.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
14

실험 및 물리화학적 성질

Melting Point96 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
96 · 96-98 °C (lit.)
끓는 점
293.08 °C · 293.08°C (rough estimate)
밀도
1.2166 · 1.2166 (rough estimate)
굴절률
1.543 · 1.5430 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

white to beige powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 7.8% (4 of 51) of reports.

Warning

H315 (15.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (92.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (90.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 4 of 51 reports by companies.;There are 6 notifications provided by 47 of 51 reports by companies with hazard statement code(s).;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.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 31-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/17872

3,4-Dimethoxyphenylacetic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (15.7%);Eye Irrit. 2 (92.2%);STOT SE 3 (90.2%)

규제 정보

Regulatory Information · 2건

Status: Active Update: 31-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/17872

3,4-Dimethoxyphenylacetic acid: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
AH0675000
HS 번호
29189090
risk_code
36/37/38-22-36/37
hazard_code
Xn,Xi

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

General Manufacturing InformationBenzeneacetic acid, 3,4-dimethoxy-: ACTIVE

응용 분야

용도Homoveratric Acid is a dopamine metabolite that inhibits brain mitochondrial respiration via monoamine oxidase/H2O2-dependent or non-dependent pathway.

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

관련 반응

97건

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