4-Methyl-2,6-dimethoxyphenol (HCID 240925)

이름 및 식별자

우선 이름: 4-Methyl-2,6-dimethoxyphenol
IUPAC: 2,6-dimethoxy-4-methylphenol
현지명: 2,6-다이메톡시-4-메틸페놀
영어명: 2,6-DIMETHOXY-4-METHYLPHENOL
분자식: C9H12O3
분자량: 168.19

이름 및 동의어

2,6-Dimethoxy-4-methylphenol6638-05-74-Methyl-2,6-dimethoxyphenol4-MethylsyringolPhenol, 2,6-dimethoxy-4-methyl-2,6-Dimethoxy-p-cresol3,5-Dimethoxy-4-hydroxytoluenep-Cresol, 2,6-dimethoxy-4-Hydroxy-3,5-dimethoxytolueneFJJ5MYE75WFEMA No. 37042,6-DIMETHOXY-4-CRESOL

이름 더 보기

2,6-다이메톡시-4-메틸페놀FEMA 3704Syringol, 4-methyl2,6-dimethoxy-4-methyl-phenoMethylsyringol, 10 mM in DMSO

DTXSID10216599EINECS 229-641-6UNII-FJJ5MYE75WNSC-479011-Methyl-3,5-dimethoxy-4-hydroxybenzeneNSC 479014-METHYL-2,6-DIMETHOXYPHENOL [FHFI]RefChem:99717

데이터베이스 식별자

CAS: 6638-05-7
PubChem CID: 240925
DTXSID: DTXSID10216599
ChEMBL: CHEMBL205268
ChEBI: CHEBI:172423
UNII: FJJ5MYE75W
EC Number: 229-641-6
Nikkaji: J27.322H

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 124

실험 및 물리화학적 성질

Solubility · 2건

insoluble in water; soluble in fat

moderately soluble (in ethanol)

Boiling Point · 2건

145.00 to 146.00 °C. @ 14.00 mm Hg

145-146 °C (12 mm Hg)

Melting Point36 °C

Physical Description · 2건

Solid

Pale yellow semi-solid, phenolic medicinal odour

Kovats Retention Index · 3건

1473；1403；1473；1404.4

1447.5；1447.1；1451.3；1442.9

2350；2349；2332；2316.5；2343.9；2359.2

물리화학적 성질

녹는점: 37 · 37-42 °C(lit.)
끓는 점: 145 · 145-146 °C14 mm Hg(lit.)
밀도: 1.105 · 1.105±0.06 g/cm3(Predicted)
FEMA: 3704 · 3704 | 4-METHYL-2,6-DIMETHOXYPHENOL
인화점: 230 °F · >230 °F
저장 조건: 2 · Inert atmosphere,2-8°C
산도 계수 (pKa): 10.29 · 10.29±0.23(Predicted)
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light orange to Yellow
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 페놀 연기 약용 우디 향신료 유제놀 루트 캐러멜
냄새 유형: 페놀성
생물학적 소스: synthetic
수용성: 물에 약간 용해됩니다.
JECFA Number: 722 · 722
Henry's Law Constant: 3.8 · 3.8×101 mol/(m3Pa) at 25℃, McFall et al. (2020)
주요 응용: 향료 및 향
InChI: 1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
InChIKey: ZFBNNSOJNZBLLS-UHFFFAOYSA-N
SMILES: COc1cc(C)cc(OC)c1O
LogP: 1.23 · 1.23

화학적 성질

brown crystalline mass

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (78.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (99.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 212 reports by companies from 8 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 · 3건

Chemical: Phenol, 2,6-dimethoxy-4-methyl-

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

Phenol, 2,6-dimethoxy-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (78.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (99.5%)

규제 정보

Regulatory Information · 3건

Chemical: Phenol, 2,6-dimethoxy-4-methyl-

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

Phenol, 2,6-dimethoxy-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
HS 번호: 29095000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

Use Classification · 4건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

응용 분야

출처Reported found in dried bonito, smoked pork belly, smoked sausage, natural smoke flavor, cured and uncured pork, beer, cuttlefish and smoked fish.

용도Used as a flavor and fragrance agents.

상·하류 제품 정보

상류 원료

4,4'-메틸렌비스(2,6-디메톡시페놀)4-(2-hydroxyethyl)-2,6-dimethoxyphenol 시나픽애씨드 Acetosyringone Phenol,4-[(1E)-3-hydroxy-1-propenyl]-2,6-dimethoxy-Phenol, 2,6-dimethoxy-4-(methoxymethyl)-2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, ethyl ester, (2E)-시린잘데하이드 2,6-Dibromo-4-methylphenol

하류 제품

5-메틸피로갈롤 4-HYDROXY-3,5-DIMETHOXYBENZYL알코올 2,6-Dimethoxyphenol

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

연결된 노트

불러오는 중…

2,6-다이메톡시-4-메틸페놀

기본 정보