3,5-Dimethoxyphenol

HCID 10383CAS 500-99-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1cc(O)cc(OC)c1
InChIKey
XQDNFAMOIPNVES-UHFFFAOYSA-N
분자식
C8H10O3
평균 분자량
154.16 g/mol
단동위원소 질량
154.06299418

이름 및 식별자

우선 이름
3,5-Dimethoxyphenol
IUPAC
3,5-dimethoxyphenol
영어명
3,5-Dimethoxyphenol
분자식
C8H10O3
분자량
154.16

이름 및 동의어

3,5-Dimethoxyphenol500-99-2Phenol, 3,5-dimethoxy-TaxicatigeninPhloroglucinol dimethyl ether1-Hydroxy-3,5-dimethoxybenzene23UXW8136ANSC-70955DTXSID7075426phloroglucindimethyletherRefChem:4869021,3-dimethoxy-5-hydroxybenzene
이름 더 보기
NSC 709553,5-Dimethoxyphenol>3,5-DiMethoxyphenol 99%3,5-Dimethoxyphenol,97%DIMETHOXYPHENOL, 3,5-(P)Phloroglucinol Impurity 24Phloroglucin dimethyl ether
DTXCID3040772207-917-73,5-dimethoxy phenolMFCD00008388UNII-23UXW8136APhenol,5-dimethoxy-3,5-dimethoxy-phenols6071

데이터베이스 식별자

CAS
500-99-2
PubChem CID
10383
DTXSID
DTXSID7075426
ChEMBL
CHEMBL462989
ChEBI
CHEBI:88715
UNII
23UXW8136A
EC Number
207-917-7
Nikkaji
J107.380J

물성

구조 계산 물성

XLogP
1.6
극성 표면적
38.7 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 Index · 3건

1531

1472

2848；2858

Collision Cross Section125.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
40 · 40-43 °C (lit.)
끓는 점
172 · 172-175 °C/17 mmHg (lit.)
밀도
1.169 · 1.1690 (rough estimate)
굴절률
1.4745 · 1.4745 (estimate)
인화점
173 °F · 173 °F
저장 조건
Inert atmosphere,Room Temperature

화학적 성질

slightly pink to yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (99.4%): 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 162 reports by companies from 6 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.

유해성 정보

Regulatory InformationPhenol, 3,5-dimethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (99.4%)

규제 정보

Regulatory InformationPhenol, 3,5-dimethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

안전 데이터

wgk
3
HS 번호
29095090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37/39
F 고인화성물질
10

화학 및 산업

응용 분야

용도3,5-Dimethoxyphenol is a phenol derivative as antinitrosating agent.

상·하류 제품 정보

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]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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