기본 정보
- CAS
2568-25-4- 표준 SMILES
CC1COC(c2ccccc2)O1- InChIKey
CDIKGISJRLTLRA-UHFFFAOYSA-N- 분자식
- C10H12O2
- 평균 분자량
- 164.2 g/mol
- 단동위원소 질량
- 164.08372962
개요
4-Methyl-2-phenyl-1,3-dioxolane is a member of benzenes.
이름 및 식별자
- 우선 이름
- Benzaldehyde propylene glycol acetal
- IUPAC
- 4-methyl-2-phenyl-1,3-dioxolane
- 영어명
- Benzaldehyde propylene glycol acetal
- 분자식
- C10H12O2
- 분자량
- 164.2
이름 및 동의어
4-Methyl-2-phenyl-1,3-dioxolane2568-25-4Benzaldehyde propylene glycol acetal1,3-Dioxolane, 4-methyl-2-phenyl-FEMA No. 21304-Methyl-2-phenyl-m-dioxolaneELQ3FTL5B1EINECS 219-906-42-phenyl-4-methyl-1,3-dioxolaneDTXSID60862989BENZALDEHYDE PROPYLENE GLYCOL ACETAL [FHFI]BENZALDEHYDE PROPYLENE GLYCOL ACETAL [USP-RS]
이름 더 보기
FEMA 2130SKL1150Benzaldehyde acetalBenzaldehyde P.G AcetalBenzaldehydeglycolacetalbenzaldehyde 1,2-propanediol
BENZALDEHYDE PROPYLENE GLYCOL ACETAL (USP-RS)RefChem:561312DTXCID40811677219-906-4UNII-ELQ3FTL5B1MFCD00059732CHEBI:1804094-methyl-2-phenyl-[1,3]dioxolane
데이터베이스 식별자
- CAS
2568-25-4- PubChem CID
- 595928
- DTXSID
DTXSID60862989- ChEBI
CHEBI:180409- UNII
- ELQ3FTL5B1
- EC Number
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 141
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Benzaldehyde propylene glycol acetal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.061-1.071
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; soluble in oils
miscible at room temperature (in ethanol)
Boiling Point83-85 °C (4 mm Hg)
Refractive Index1.506-1.516
Physical Descriptioncolourless liquid with a mild almond-like odour
물리화학적 성질
- 끓는 점
- 83 · 83-85 °C/4 mmHg (lit.)
- 밀도
- 1.065 g/mL · 1.065 g/mL at 25 °C (lit.)
- FEMA
- 2130 · 2130 | BENZALDEHYDE PROPYLENE GLYCOL ACETAL
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 74.2% (118 of 159) of all reports.
Warning
H315 (25.8%): Causes skin irritation [Warning Skin corrosion/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 159 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,3-Dioxolane, 4-methyl-2-phenyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1,3-Dioxolane, 4-methyl-2-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (25.8%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- JI3870000
- HS 번호
- 29329990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-24810
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1,3-Dioxolane, 4-methyl-2-phenyl-: ACTIVE
응용 분야
출처Reported found in port wine.
일반 설명The product is an isomeric mixture of benzaldehyde propylene glycol acetal (Benzaldehyde PG acetal). It can be prepared from benzaldehyde and propylene glycol, via condensation reaction. Specific gravity of benzaldehyde PG acetal is 1.068 – 1.073 at 20°C. It has been identified as one of the volatile compound present in the artificial caramel and chocolate samples by non-equilibrated solid-phase microextraction/gas chromatography/mass spectrometry.
제조 방법
By condensation of benzaldehyde with propylene glycol. The reaction water is removed by azeotropic distillation (Arctander, 1960).
상·하류 제품 정보
상류 원료
공급사100 곳
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…