기본 정보
- CAS
5533-03-9- 표준 SMILES
COCc1ccc(O)c(OC)c1- InChIKey
USDDPDQEVLAOBO-UHFFFAOYSA-N- 분자식
- C9H12O3
- 평균 분자량
- 168.19 g/mol
- 단동위원소 질량
- 168.07864424
이름 및 식별자
- 우선 이름
- 2-Methoxy-4-(methoxymethyl)phenol
- IUPAC
- 2-methoxy-4-(methoxymethyl)phenol
- 현지명
- 2-메톡시-4-(메톡시메틸)-페노
- 영어명
- 2-methoxy-4-(methoxymethyl)-pheno
- 분자식
- C9H12O3
- 분자량
- 168.19
이름 및 동의어
2-Methoxy-4-(methoxymethyl)phenol5533-03-9Phenol, 2-methoxy-4-(methoxymethyl)-EINECS 226-882-9DTXSID40203896RefChem:474373DTXCID70126387226-882-92-methoxy-4-(methoxymethyl)-phenoMethyl vanillyl etherSCHEMBL116859U8S4BRR944
이름 더 보기
2-메톡시-4-(메톡시메틸)-페노Methylvanillyl etherPhenol, 2-methoxy-4-(methoxymethyl)
SCHEMBL29639708MFCD247134492-Methoxy-4-(methoxymethyl)phenol #4-hydroxy-3-methoxybenzyl methyl etherHS-3465SY264226DB-277450NS00012834
데이터베이스 식별자
- CAS
5533-03-9- PubChem CID
- 79662
- DTXSID
DTXSID40203896- UNII
- U8S4BRR944
- EC Number
- 226-882-9
- Nikkaji
- J210.577B
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 38.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 127
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Methyl vanillyl ether) -> IFRA transparency List
물리화학적 성질
- 녹는점
- 34 · 34-35 °C
- 끓는 점
- 260 ℃[at · 260℃[at 101 325 Pa]
- 밀도
- 1.148 · 1.148[at 20℃]
- 증기압
- 0.23 Pa · 0.23Pa at 24℃
- 산도 계수 (pKa)
- 9.9 · 9.90±0.31(Predicted)
- 수용성
- 2.15 g/L · 2.15g/L at 24℃
- 화장품 원료 기능
- 향수
- LogP
- 0.7 at · 0.7 at 25℃
- EPA
- 2 · Phenol, 2-methoxy-4-(methoxymethyl)- (5533-03-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 94.1% (223 of 237) of all reports.
Not Classified
Aggregated GHS information provided per 237 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Phenol, 2-methoxy-4-(methoxymethyl)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2-methoxy-4-(methoxymethyl)phenol (EC: 226-882-9)
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- 2011-3-5216
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
Methyl vanillyl ether
Methyl vanillyl ether; 2-Methoxy-4-(methoxymethyl)phenol; Phenol, 2-methoxy-4-(methoxymethyl)-; 4-Hydroxy-3-methoxybenzyl methyl ether; Mevanyl (commercial name); Vani-White (commercial name)
IFRA_STD_257.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use ClassificationFragrance Ingredients
General Manufacturing InformationPhenol, 2-methoxy-4-(methoxymethyl)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.065 [Products applied to the lips]
0.080 [Products applied to the axillae]
0.065 [Products applied to the face/body using fingertips]
1.5 [Products related to fine fragrances]
0.38 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.065 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
공급사5 곳
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
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