기본 정보
- 표준 SMILES
CC(O)/C=C/c1ccccc1- InChIKey
ZIJWGEHOVHJHKB-BQYQJAHWSA-N- 분자식
- C10H12O
- 평균 분자량
- 148.2 g/mol
- 단동위원소 질량
- 148.088815
개요
4-Phenyl-3-buten-2-ol is a phenylpropanoid.
이름 및 식별자
- 우선 이름
- 4-Phenyl-3-buten-2-ol, (3E)-
- IUPAC
- (E)-4-phenylbut-3-en-2-ol
이름 및 동의어
36004-04-3(3E)-4-Phenyl-3-buten-2-ol(E)-4-Phenyl-3-buten-2-ol3-Buten-2-ol, 4-phenyl-, (E)-trans-4-Phenyl-3-buten-2-olFEMA No. 2880, E-trans-3-Hydroxy-1-phenyl-1-butene4-Phenyl-3-buten-2-ol, (3E)-UNII-X6586VX5Q93-Buten-2-ol, 4-phenyl-, (3E)-X6586VX5Q9RefChem:198767
이름 더 보기
(E)-4-phenylbut-3-en-2-ol4-Phenyl-3-buten-2-ol17488-65-2Methyl styryl carbinolNS00012864UNII-IIV76T367HFEMA No. 28801-Methyl-3-phenylallyl alcohol
데이터베이스 식별자
- CAS
17488-65-2、36004-04-3- PubChem CID
- 5369489
- DTXSID
DTXSID201377210- ChEBI
CHEBI:190782- UNII
- X6586VX5Q9
- EC Number
- 241-501-6
- Nikkaji
- J28.644C、J474.277J
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 123
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (4-Phenyl-3-buten-2-ol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.006-1.012
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point140 °C (12 mm Hg)
Refractive Index1.558-1.567
Physical Descriptioncolourless slightly viscous liquid with a sweet, mild, fruity, floral, balsamic odour
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 3-Buten-2-ol, 4-phenyl-
3-Buten-2-ol, 4-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
4-Phenyl-3-buten-2-ol
3-Buten-2-ol, 4-phenyl-; 4-Phenylbut-3-en-2-ol; Methyl styryl carbinol
IFRA_STD_198.pdf
49
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 Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3-Buten-2-ol, 4-phenyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.22 [Products applied to the lips]
0.066 [Products applied to the axillae]
1.3 [Products applied to the face/body using fingertips]
1.2 [Products related to fine fragrances]
0.32 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.32 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
관련 반응
96건
연결된 노트
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