기본 정보
- CAS
68527-74-2- 표준 SMILES
COc1cc(C2OCC(C)O2)ccc1O- InChIKey
RFGCVZIIIHRESZ-UHFFFAOYSA-N- 분자식
- C11H14O4
- 평균 분자량
- 210.23 g/mol
- 단동위원소 질량
- 210.08920893
개요
2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol is a member of phenols and a member of methoxybenzenes.
이름 및 식별자
- 우선 이름
- Vanillin propylene glycol acetal
- IUPAC
- 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
- 영어명
- Vanillin propylene glycol acetal
- 분자식
- C11H14O4
- 분자량
- 210.23
이름 및 동의어
2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenolVanillin propylene glycol acetalVanillin propyleneglycol acetalPhenol, 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)-UNII-J6C2S16A8KJ6C2S16A8KEINECS 271-279-6FEMA NO. 3905DTXSID10867661VANILLIN 1,2-PROPYLENE GLYCOL ACETALRefChem:193699DTXCID40815832
이름 더 보기
FEMA 3905Vanillin Propylene Glycol Acetal(Contain IsoMer)UNII:J6C2S16A8KbinerchunsuoquanC14-18 AldehydesVanillin P.G AcetalVANILLINEPROPYLENEGLYCOLACETATEVanillin Propylene Glycol Actal
RFGCVZIIIHRESZ-UHFFFAOYSA-N68527-74-2MFCD00036666SCHEMBL118412Vanillin propylene glycol acetateAS-61151Vanillin 1,2-propylene glycol acetal; 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol2-methoxy-4-(4-m
데이터베이스 식별자
- CAS
68527-74-2- PubChem CID
- 109455
- DTXSID
DTXSID10867661- ChEBI
CHEBI:174054- UNII
- J6C2S16A8K
- EC Number
- 271-279-6
- Nikkaji
- J309.156B
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 47.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 209
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Vanillin propylene glycol acetal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.196-1.206
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water and fat; soluble in triacetin
Soluble (in ethanol)
Boiling Point
154.00 °C. @ 1.00 mm Hg
152-155 °C (1 mm Hg)
Refractive Index1.533-1.543
Physical DescriptionColourless, viscous liquid; Sweet, vanilla aroma
물리화학적 성질
- 끓는 점
- 333.1 · 333.1±42.0 °C(Predicted)
- 밀도
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- FEMA
- 3905 · 3905 | VANILLIN PROPYLENE GLYCOL ACETAL
- 인화점
- 110 ° · 110°
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 9.8 · 9.80±0.35(Predicted)
- 물리적 상태
- Oil to Thick Oil
- 색상
- 무색
- 냄새
- 100 %에서 · 100.00%에서. 달콤한 바닐라 초콜릿 크리미한 유제품 파우더리
- 냄새 유형
- 바닐라
- JECFA Number
- 1882 · 1882
- 안정성
- 흡습성
- LogP
- 1.09 · 1.09
- EPA
- 2 · Phenol, 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)- (68527-74-2)
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 98.9% (91 of 92) of all reports.
Not Classified
Aggregated GHS information provided per 92 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Phenol, 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationPhenol, 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)-: ACTIVE
응용 분야
용도Vanillin Propylene Glycol Acetal as a flavoring agent. Has similar taste and smell as Vanillin(V097500).
공급사100 곳
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