4-Hydroxy-3,5-dimethylbenzoic acid (HCID 138387)

이름 및 식별자

우선 이름: 4-Hydroxy-3,5-dimethylbenzoic acid
IUPAC: 4-hydroxy-3,5-dimethylbenzoic acid
영어명: 4-Hydroxy-3,5-dimethylbenzoic acid
분자식: C9H10O3
분자량: 166.17

이름 및 동의어

4-Hydroxy-3,5-dimethylbenzoic acid4919-37-3DTXSID20197704OMNHTTWQSSUZHO-UHFFFAOYSA-NSC 68319RefChem:99177DTXCID40120195680-013-1InChI=1/C9H10O3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3,(H,11,12)OMNHTTWQSSUZHO-UHFFFAOYSA-N3,5-Dimethyl-4-hydroxybenzoic acidBenzoic acid, 4-hydroxy-3,5-dimethyl-

이름 더 보기

RARECHEM AL BO 08682,6-DiMethyl-4-carboxyphenol4-Hydroxy-3,5-Dimethylbenzoic4-hydroxy-3,5-dimethylbenzoate4-Hydroxy-3,5-dimethylbenzoicaci4-Hydroxy-3,5-dimethylbenzoicAcid>Benzoic acid, 4-hydroxy-3,5-dimethyl-4-Hydroxy-3,5-dimethylbenzoic acid,98%

MFCD000165364-hydroxy-3,5-dimethyl-benzoic acid3.5-dimethyl-4-hydroxybenzoic acidCL8058DS-12602SY048466EN300-2581972,6-Dimethyl-4-carboxyphenol; 3,5-Dimethyl-4-hydroxybenzoic Acid; 4-Hydroxy-3,5-dimethylbenzoic Acid; NSC 68319

데이터베이스 식별자

CAS: 4919-37-3
PubChem CID: 138387
DTXSID: DTXSID20197704
EC Number: 680-013-1、928-921-1
Nikkaji: J410.615F

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 167

물리화학적 성질

녹는점: 221 · 221-226 °C
끓는 점: 254.38 °C · 254.38°C (rough estimate)
밀도: 1.1708 · 1.1708 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됩니다.
산도 계수 (pKa): 4.71 · 4.71±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 황백색에서 연한 분홍색 또는 연한 베이지색
BRN: 2576289 · 2576289
NIST: 3 · 3,5-Dimethyl-4-hydroxybenzoic acid(4919-37-3)

화학적 성질

off-white to light pink or light beige crystalline

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 4 reports by companies from 1 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

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (100%)；STOT SE 3 (33.3%)

안전 데이터

rtecs: DG8997500
HS 번호: 29182900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26

화학 및 산업

응용 분야 · 1건

용도4-hydroxy-3,5-dimethylbenzoic acid is widely used as a reagent for potent TTR amyloidogenesis inhibitors. It plays an important role as an intermediate in agrochemicals and dyestuffs. It is also used in the preparation of mexiletine derivatives.