Prenyl acetate (HCID 14489)

이름 및 식별자

우선 이름: Prenyl acetate
IUPAC: 3-methylbut-2-enyl acetate
현지명: 프레닐 아세테이트
영어명: Prenyl acetate
분자식: C7H12O2
분자량: 128.17

이름 및 동의어

Prenyl acetate1191-16-83,3-Dimethylallyl acetate3-Methyl-2-butenyl acetateIsopent-2-enyl acetate3-methylbut-2-enyl acetateDimethylallyl acetate2-BUTEN-1-OL, 3-METHYL-, ACETATE3-Methyl-2-buten-1-ol, acetate2-Buten-1-ol, 3-methyl-, 1-acetateDTXSID9047128I7KOV03HGS

이름 더 보기

프레닐아세테이트3-METHYL-2-BUTEN-1-YL ACETATEPRENYLACETATSorbate esterISOPENTY CETATEVERTENOL-ACETATE3-methyl-2-butenyldimethylallylacetatePRENYL ACETATE 98+%

EINECS 214-730-41-acetoxy-3-methyl-2-buteneBRN 1746265.gamma.,.gamma.-Dimethylallyl acetatePRENYL ACETATE [FHFI]DTXCID7027128FEMA NO. 4202EC 214-730-4

데이터베이스 식별자

CAS: 1191-16-8
PubChem CID: 14489
DTXSID: DTXSID9047128
ChEMBL: CHEMBL3560443
ChEBI: CHEBI:173486
UNII: I7KOV03HGS
EC Number: 214-730-4
Nikkaji: J70.099A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 121

실험 및 물리화학적 성질

LogP1.650

Density0.911-0.922

Solubility · 2건

Practically insoluble to insoluble in water

Soluble (in ethanol)

Boiling Point · 2건

151.00 to 152.00 °C. @ 752.00 mm Hg

148-149 °C

Refractive Index1.424-1.428

Physical Description · 3건

Dry Powder; Liquid; Liquid; CBI

Liquid

Colourless liquid; Natural green apple banana aroma

물리화학적 성질

녹는점: -62.68 °C · -62.68°C (estimate)
끓는 점: 151 · 151-152 °C752 mm Hg(lit.)
밀도: 0.917 g/mL · 0.917 g/mL at 25 °C(lit.)
증기압: 2.6 hPa · 2.6hPa at 20℃
FEMA: 4202 · 4202 | PRENYL ACETATE
굴절률: 20 · n20/D 1.43(lit.)
인화점: 121 °F · 121 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 2 O: · H2O: 불용성
색상: 무색 내지 거의 무색
Specific Gravity: 0.917 · 0.917
냄새: 1 % · 프로필렌 글리콜 중 1.00%. 달콤하고 신선한 바나나 과일 향이 나는 재스민 익은 헬리오트로프 발삼
냄새 유형: 과일 같은
생물학적 소스: synthetic
수용성: 4.3 g/L · 4.3g/L at 20℃
JECFA Number: 1827 · 1827
주요 응용: 향료 및 향
화장품 원료 기능: 향수
InChI: 1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3
InChIKey: XXIKYCPRDXIMQM-UHFFFAOYSA-N
SMILES: CC(=O)OC\C=C(\C)C
LogP: 2 at · 2 at 23℃
NIST: 2 · 2-Buten-1-ol, 3-methyl-, acetate(1191-16-8)
EPA: 2 · 2-Buten-1-ol, 3-methyl-, acetate (1191-16-8)

화학적 성질

Colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1901 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 5건

Chemical: 2-Buten-1-ol, 3-methyl-, acetate

Regulation (EC) No 1831/2003 (amended)

2-Buten-1-ol, 3-methyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Buten-1-ol, 3-methyl-, 1-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 13-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12791

2-Buten-1-ol, 3-methyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (> 99.9%)

규제 정보

Regulatory Information · 5건

Chemical: 2-Buten-1-ol, 3-methyl-, acetate

Regulation (EC) No 1831/2003 (amended)

2-Buten-1-ol, 3-methyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Buten-1-ol, 3-methyl-, 1-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 13-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12791

2-Buten-1-ol, 3-methyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: EM9473700
ridadr: UN 3272 3/PG 3
HS 번호: 29153900
risk_code: 10
safety_code: 16-24/25
포장분류: III
위험 등급: 3
기존화학 물질: KE-23633
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular；Membrane

용도 및 제조

U.S. Production2023: 8,500,000 - <10,000,000 lb；2022: 8,500,000 - <10,000,000 lb；2021: 8,500,000 - <10,000,000 lb；2020: 8,500,000 - <10,000,000 lb

Consumer UsesFragrance

Industry UsesFragrance

Household ProductsInformation on 39 consumer products that contain Prenyl Acetate in the following categories is provided:；• Auto Products；• Inside the Home；• Personal Care

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2건

Soap, Cleaning Compound, and Toilet Preparation Manufacturing；All Other Chemical Product and Preparation Manufacturing

2-Buten-1-ol, 3-methyl-, 1-acetate: ACTIVE

응용 분야

출처Reported found in ylang ylang oil (0.33%), ylang ylang oil I, Cananga odorata Hook.f. and Thomas. (0.89%), ylang ylang oil II, Cananga odorata Hook. f. and Thomas. (0.08%), ylang ylang oil III (0.02%)