1-(4-메톡시페닐)-1-펜텐-3-온
1-(4-Methoxyphenyl)-1-penten-3-one
기본 정보
- CAS
104-27-8- 표준 SMILES
CCC(=O)/C=C/c1ccc(OC)cc1- InChIKey
SLDQOBRACOQXGE-QPJJXVBHSA-N- 분자식
- C12H14O2
- 평균 분자량
- 190.24 g/mol
- 단동위원소 질량
- 190.09937969
이름 및 식별자
- 우선 이름
- 1-(4-Methoxyphenyl)-1-penten-3-one
- IUPAC
- (E)-1-(4-methoxyphenyl)pent-1-en-3-one
- 현지명
- 1-(4-메톡시페닐)-1-펜텐-3-온
- 영어명
- 1-(4-Methoxyphenyl)-1-penten-3-one
- 분자식
- C12H14O2
- 분자량
- 190.24
이름 및 동의어
104-27-81-(4-Methoxyphenyl)pent-1-en-3-one1-(4-Methoxyphenyl)-1-penten-3-one1-Penten-3-one, 1-(4-methoxyphenyl)-(1E)-1-(4-methoxyphenyl)pent-1-en-3-oneRefChem:592708Ethonealpha-Methylanisalacetone(E)-1-(4-methoxyphenyl)pent-1-en-3-one1-(p-METHOXYPHENYL)-1-PENTEN-3-ONEEthyl p-methoxystyryl ketoneFEMA No. 2673
이름 더 보기
1-(4-메톡시페닐)-1-펜텐-3-온1-(4-메톡시페닐)-1-펜텐-3-온(α-메틸아니살아세톤)α-메틸아니살아세톤1-(4-METHOXYPHENYL)-1-PENTENE-3-ONEFEMA 2673powdery ketoneAnisylidene butanoneDiclofop Impurity 12α-MethylanisalacetoneMETHYLANISYLIDENACETONE
82297-64-11-Penten-3-one, 1-(p-methoxyphenyl)-U0ZZO1ACORMFCD000270231-Penten-3-one, 1-(4-methoxyphenyl)-, (1E)-NSC-133448A-METHYLANISALACETONEalpha-Methylanisylideneacetone
데이터베이스 식별자
- CAS
104-27-8、82297-64-1- PubChem CID
- 5803450
- DTXSID
DTXSID00231670- UNII
- U0ZZO1ACOR
- EC Number
- 203-190-5
- Nikkaji
- J265.437G、J781.562J
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 200
실험 및 물리화학적 성질
FragrancesFragrance substance (α-Methyl anisylidene acetone) -> IFRA amendment 40
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water, soluble in organic solvents, oils
very soluble (in ethanol)
Boiling Point
278.00 °C. @ 760.00 mm Hg
278 °C; 74 °C (10 mm Hg)
Melting Point61.3 - 61.9 °C
Physical Description
Solid
white to pale yellow crystals with a sweet, buttery, caramellic odour
물리화학적 성질
- 녹는점
- 61 °C · 61 °C
- 끓는 점
- 333.2 · 333.2±17.0 °C(Predicted)
- 밀도
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- FEMA
- 2673 · 2673 | 1-(P-METHOXYPHENYL)-1-PENTEN-3-ONE
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 35.5% (54 of 152) of reports.
Warning
H317 (64.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 152 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1-Penten-3-one, 1-(4-methoxyphenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1-Penten-3-one, 1-(4-methoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1 (64.5%)
안전 데이터
- 독성
- rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 863, 1979.
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 36/37
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
IFRA Fragrance Standards
α-Methyl anisylidene acetone
1-(p-Methoxyphenyl)-1-penten-3-one; p-Methoxystyryl ethyl ketone; alpha-Methylanisalacetone; α-Methylanisalacetone; 1-(4-Methoxyphenyl)-1-penten-3-one; 1-Penten-3-one, 1-(4-(methoxyphenyl))-; Ethone (commercial name)
IFRA_STD_159.pdf
40
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Prohibition: This material should not be used as a fragrance ingredient
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
응용 분야
개요1 -(p-Methoxypheny 1)-1 -penten-3-one has an odor similar to butter, sweet and lasting. It has a sweet, fruity taste at low levels and a slightly burning taste at higher levels. Prepared by saturation at room temperature of a mixture of anisaldehyde and methyl ethyl ketone with HCL, or by treating α-methyl-α-(4-hydroxy)benzylidene acetone with methyl iodide in alkaline solution.
용도Flavoring.
제조 방법
By saturation at room temperature of a mixture of anisaldehyde and methyl ethyl ketone with HCl, or by treating α-methyl- α-(4-hydroxy)benzylidene acetone with methyl iodide in alkaline solution.
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