CAS 489-01-0 2,6-Di-tert-butyl-4-methoxyphenol (HCID 10269)

이름 및 식별자

우선 이름: 2,6-Di-tert-butyl-4-methoxyphenol
IUPAC: 2,6-ditert-butyl-4-methoxyphenol
영어명: 2,6-DI-TERT-BUTYL-4-METHOXYPHENOL
분자식: C15H24O2
분자량: 236.35

이름 및 동의어

2,6-DI-TERT-BUTYL-4-METHOXYPHENOL489-01-03,5-Di-tert-butyl-4-hydroxyanisoleTopanol 3542,6-ditert-butyl-4-methoxyphenol3,5-di-t-Butyl-4-hydroxyanisolePhenol, 2,6-bis(1,1-dimethylethyl)-4-methoxy-Phenol, 2,6-di-tert-butyl-4-methoxy-DTXSID8041379616072TMXYNSC-14451DTXCID6021379

이름 더 보기

DTBHA[Oxidation inhibitor]Everolimus Impurity 463,5-DI-TERT-BUTYL-4-HYDROXYANISOL4-METHOXY-2-6-DI-TERT-BUTYLPHENOL2,6-di-tert-butyl-4-methoxy-pheno

RefChem:831033,5-DTBHA207-693-0MFCD00008824EINECS 207-693-02,6-bis(tert-butyl)-4-methoxyphenol2,6-di-t-butyl-4-methoxyphenol2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol

데이터베이스 식별자

CAS: 489-01-0
PubChem CID: 10269
DTXSID: DTXSID8041379
ChEMBL: CHEMBL98253
ChEBI: CHEBI:183868
UNII: 616072TMXY
EC Number: 207-693-0
Nikkaji: J151.263C

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 223

실험 및 물리화학적 성질

Kovats Retention Index1527

Collision Cross Section157.2 Å² [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8041379]；160.4 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8041379]

물리화학적 성질

녹는점: 102 · 102-106 °C (lit.)
끓는 점: 135 · 135-140°C 10mm
밀도: 0.9845 · 0.9845 (rough estimate)
굴절률: 1.5542 · 1.5542 (estimate)
인화점: 135 · 135-140°C/10mm
저장 조건: 2 · 2-8°C, stored under nitrogen
용해도: 메탄올에 용해됨
산도 계수 (pKa): 13.04 · 13.04±0.40(Predicted)
물리적 상태: 액체
색상: 투명한
BRN: 2052290 · 2052290
InChI: InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3
InChIKey: SLUKQUGVTITNSY-UHFFFAOYSA-N
SMILES: C1(O)=C(C(C)(C)C)C=C(OC)C=C1C(C)(C)C
EPA: 2 · 2,6-Di-tert-butyl-4-methoxyphenol (489-01-0)

화학적 성질

white to beige 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 (97.8%): 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 46 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

안전 데이터

wgk: 3
rtecs: SJ7785668
HS 번호: 29095000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2,6-Di-tert-butyl-4-methoxyphenol has been used to protect cosmetics, drugs and foods from oxidative degradation.

일반 설명2,6-Di-tert-butyl-4-methoxyphenol is a phenolic antioxidant. It participates in In(trifluoromethanesulfonate)3-catalyzed tandem reaction of ortho-alkynylarylimine with various nucleophiles.