2,4-다이하이드록시벤조 산

2,4-Dihydroxybenzoic Acid

HCID 1491CAS 89-86-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)c1ccc(O)cc1O
InChIKey
UIAFKZKHHVMJGS-UHFFFAOYSA-N
분자식
C7H6O4
평균 분자량
154.12 g/mol
단동위원소 질량
154.02660867

이름 및 식별자

우선 이름
2,4-Dihydroxybenzoic Acid
IUPAC
2,4-dihydroxybenzoic acid
현지명
2,4-다이하이드록시벤조 산
영어명
2,4-Dihydroxybenzoic acid
분자식
C7H6O4
분자량
154.12

이름 및 동의어

2,4-dihydroxybenzoic acid89-86-1beta-Resorcylic acid4-Hydroxysalicylic acid4-Carboxyresorcinolp-Hydroxysalicylic acidBenzoic acid, 2,4-dihydroxy-beta-Resorcinolic acidRESORCYLIC ACID, BETACoupler 320DTXSID0025074LU39SC9JYL
이름 더 보기
2,4-다이하이드록시벤조산2,4-다이하이드록시벤조산2,4-Dhba2,4-Dihydrox2,4-Dihydroxybenzoesure4-Dihydroxybenzoic acidSodium aminosalicylate Impurity 32,4-Dihydroxybenzoic Acid, ≥ 98.0%2,4-DIHYDROXYBENZOIC ACID / BETA-RESORCYLIC ACIDBRA
NSC-4740NSC-13564DTXCID205074FEMA NO. 3798RefChem:567952201-946-9.beta.-Resorcylic acidMFCD00002451

데이터베이스 식별자

CAS
89-86-1
PubChem CID
1491
DTXSID
DTXSID0025074
ChEMBL
CHEMBL328910
ChEBI
CHEBI:42094
UNII
LU39SC9JYL
EC Number
201-946-9
Nikkaji
J4.310I

물성

구조 계산 물성

XLogP
1.6
극성 표면적
77.8 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

LogP · 2건

1.63

1.63

Solubility · 4건

5780

5.78 mg/mL at 25 °C

soluble in hot water, organic solvents, oils

soluble (in ethanol)

Boiling Point309.00 to 310.00 °C. @ 760.00 mm Hg
Melting Point · 2건

226

218 - 219 °C

Vapor Pressure0.0000021 [mmHg]
Physical Description · 3건

Solid; [Merck Index] White powder; [Alfa Aesar MSDS]

Solid

hydrated white crystals with a faint phenolic odour

물리화학적 성질

녹는점
208 · 208-211 °C (dec.) (lit.)
끓는 점
237.46 °C · 237.46°C (rough estimate)
밀도
1.3725 · 1.3725 (rough estimate)
증기압
0 Pa · 0Pa at 25℃
굴절률
1.671 · 1.6710 (estimate)
FEMA
3798 · 3798 | 2,4-DIHYDROXYBENZOIC ACID

화학적 성질

cream to slightly beige or pink crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (89.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (90.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.3%): 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 55 reports by companies from 11 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 Information · 4건

Chemical: Benzoic acid, 2,4-dihydroxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 03-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26724；Status: Active Update: 16-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20707

Benzoic acid, 2,4-dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) > 800 mg/kg; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (89.1%)；Eye Irrit. 2A (90.9%)；STOT SE 3 (87.3%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

10 [mg/m3]

110 [mg/m3]

660 [mg/m3]

규제 정보

Regulatory Information · 4건

Chemical: Benzoic acid, 2,4-dihydroxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 03-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26724；Status: Active Update: 16-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20707

Benzoic acid, 2,4-dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
VH3708050
HS 번호
29182990
risk_code
36/37/38
hazard_code
Xi

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

Uses · 2건

Used as a test reagent for iron and an intermediate (dyestuffs and drugs); [Merck Index] Used as flavoring agent or adjuvant; [FDA]

Synthetic Polymer MALDI Matrix Compounds

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzoic acid, 2,4-dihydroxy-: ACTIVE

응용 분야

출처Reported present in avocados, beer, red wine, roast coffee, sherry, smoked sausage and white wine

용도2,4-Dihydroxybenzoic acid is used in Intermediates, Plasticizers, Plastic and Rubber Products, a organic building block.

제조 방법

Prepared from resorcinol and potassium bicarbonate in glycerol or water by heating and passing carbon dioxide through the mixture.

상·하류 제품 정보

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]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

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2,4-Dihydroxybenzoic Acid (HCID 1491)｜Huagongshe