레조시놀아세테이트

Acetylresorcinol

HCID 5055CAS 102-29-4

기본 정보

표준 SMILES
CC(=O)Oc1cccc(O)c1
InChIKey
ZZPKZRHERLGEKA-UHFFFAOYSA-N
분자식
C8H8O3
평균 분자량
152.15 g/mol
단동위원소 질량
152.04734411

이름 및 식별자

우선 이름
Acetylresorcinol
IUPAC
(3-hydroxyphenyl) acetate
현지명
레조시놀아세테이트
영어명
3-Hydroxyphenyl acetate
분자식
C8H8O3
분자량
152.15

이름 및 동의어

RESORCINOL MONOACETATE102-29-4EuresolRemonolAcetylresorcinol3-Acetoxyphenol(3-hydroxyphenyl) acetatem-Hydroxyphenyl acetateresorcinol acetateDTXSID6045901YL6O37RD1SNSC-40511
이름 더 보기
레조시놀아세테이트resorcinacetate3-hydroxyphenylM-ACETOXYPHENOLacetyl resorcin
Resorcinol monoacetate (USP)Resorcinol monoacetate [USP]DTXCID4025901CHEBI:29672RefChem:178941203-022-03-Hydroxyphenyl acetateResorcitate

데이터베이스 식별자

CAS
102-29-4
PubChem CID
5055
DTXSID
DTXSID6045901
ChEMBL
CHEMBL1593874
ChEBI
CHEBI:29672
UNII
YL6O37RD1S
EC Number
203-022-0
Nikkaji
J5.006G

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
2
무거운 원자 수
11

실험 및 물리화학적 성질

Kovats Retention Index1382.6
Collision Cross Section · 2건

126.1 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

126.5 Ų [M-H]-

물리화학적 성질

녹는점
129 · 129-133 °C
끓는 점
283 °C · 283 °C(lit.)
밀도
1.223 g/mL · 1.223 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.537(lit.)
인화점
230 °F · >230 °F
저장 조건
-20 °C · Store at -20°C

화학적 성질

clear yellow to brown viscous liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 47.4% (37 of 78) of reports.

Danger

H302 (52.6%): Harmful if swallowed [Warning Acute toxicity, oral];H317 (51.3%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (51.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 37 of 78 reports by companies.;There are 3 notifications provided by 41 of 78 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 InformationChemical: 1,3-Benzenediol, monoacetate
Hazard Classes and CategoriesAcute Tox. 4 (52.6%);Skin Sens. 1 (51.3%);Eye Dam. 1 (51.3%)

규제 정보

Regulatory InformationChemical: 1,3-Benzenediol, monoacetate

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
VH2750000
ridadr
UN 3082 9 / PGIII
HS 번호
29153900
risk_code
22-37/38-41-43-36/37/38-50-38

화학 및 산업

용도 및 제조

Use ClassificationCosmetics -> Hair conditioning; Skin conditioning; Antistatic
General Manufacturing Information1,3-Benzenediol, 1-acetate: INACTIVE

응용 분야

용도antiviral

공급사50 곳

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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]

추가 설명

정의ChEBI: A member of the class of phenols that is resorcinol in which one of the phenolic hydroxy groups has been converted to its acetate ester. It has keratolytic properties and has been used for the treatment of acne.

관련 반응

18건

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