4-Phenylbut-3-en-2-ol (HCID 15172)

개요

4-Phenyl-3-buten-2-ol has been reported in Elsholtzia pilosa and Chrysanthemum morifolium with data available.

이름 및 식별자

우선 이름: 4-Phenylbut-3-en-2-ol
IUPAC: 4-phenylbut-3-en-2-ol
현지명: 4-페닐-3-부텐-2-올
영어명: 4-phenyl-3-buten-2-ol
분자식: C10H12O
분자량: 148.2

이름 및 동의어

4-phenylbut-3-en-2-olRefChem:5264063-Buten-2-ol, 4-phenyl-17488-65-24-Phenyl-3-buten-2-olMethylstyrylcarbinol1-methyl-3-phenyl-2-propen-1-ol4-phenyl-3-buten-2ol4-phenyl-but-3-ene-2-olSCHEMBL295663SCHEMBL5958250SCHEMBL7381054

이름 더 보기

4-페닐-3-부텐-2-올1-StyrylethanolStyrylmethylcarbinol1-Phenyl-1-buten-3-olLabetalol Impurity 32TRANS-4-PHENYL-3-BUTEN-2-OL3-Hydroxy-1-phenyl-1-butene1-Methyl-3-phenyl-2-propene-1-ol

DTXSID90864779WLZ3162DB-367944NS00084969

데이터베이스 식별자

CAS: 17488-65-2
PubChem CID: 15172
DTXSID: DTXSID90864779
EC Number: 241-501-6

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 20.2 Å²
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

Flavoring AgentsEU Flavoring substances

Solubility · 2건

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

Boiling Point140 °C (12 mm Hg)

물리화학적 성질

녹는점: 39 · 39-41℃
끓는 점: 269 ℃ · 269℃ (760 Torr)
밀도: 1.023 · 1.023±0.06 g/cm3 (20 ºC 760 Torr)
굴절률: 1.5726 · 1.5726 (589.3 nm 20℃)
FEMA: 2880 · 2880 | 4-PHENYL-3-BUTEN-2-OL
인화점: 122 ℃ · 122℃ (760 Torr)
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 14.68 · 14.68±0.20(Predicted)
색상: 흰색에서 황백색까지
냄새: 100 %에서 · 100.00%에서. 달콤한 과일 꽃 발삼
냄새 유형: 꽃향기
JECFA Number: 819 · 819
LogP: 2.04 · 2.04
EPA: 3 · 3-Buten-2-ol, 4-phenyl- (17488-65-2)

화학적 성질

4-Phenyl-3-buten-2-ol has a characteristic sweet, mild, fruity, balsamic, floral odor.

안전 및 규제

GHS 분류

GHS Classification · 3건

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 · 3건

Chemical: 3-Buten-2-ol, 4-phenyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

IFRA Fragrance Standards · 6건

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 · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information3-Buten-2-ol, 4-phenyl-: ACTIVE

Restriction Limits in the Finished Product (%) · 6건

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)]

응용 분야 · 1건

용도4-Phenyl-3-buten-2-ol can be used as reagent/reactant for rhodium-catalyzed dynamic kinetic enantio-, chemo- and regioselective allylation of phenols/naphthols/hydroxypyridines with allylic carbonates. It can also be used in biological study for comparative study on quality of soy sauce produced from whole soybeans and defatted soybeans.