CAS 39255-32-8 Ethyl 2-methylpentanoate (HCID 62902)

이름 및 식별자

우선 이름: Ethyl 2-methylpentanoate
IUPAC: ethyl 2-methylpentanoate
현지명: 에틸 2-메틸발레르산염
영어명: Ethyl 2-methylpentanoate
분자식: C8H16O2
분자량: 144.21

이름 및 동의어

Ethyl 2-methylpentanoate39255-32-8Ethyl 2-methylvaleratePentanoic acid, 2-methyl-, ethyl esterMelon valerateEthyl alpha-methylvalerateFEMA No. 3488Ethyl .alpha.-methylvalerateDTXSID7047198EINECS 254-384-1405SN8638DAI3-33618

이름 더 보기

에틸2-메틸발레르산염에틸2-메틸발레르산염2-methyl-pentanoicaciethylesterETHYL 2-METHYL PENTANOATE (MANZANATE)MANZANATEFEMA 3488FEMA NUMBER 3488MANZANATE, QUESTRARECHEM AL BI 0135manzanate (Givaudan)

EC 254-384-1DTXCID5027198HZPKNSYIDSNZKW-UHFFFAOYSA-ETHYL 2-METHYLPENTANOATE [FCC]ETHYL 2-METHYLPENTANOATE [FHFI]RefChem:594483(+-)-ETHYL 2-METHYLPENTANOATEETHYL 2-METHYLPENTANOATE, (+-)-

데이터베이스 식별자

CAS: 39255-32-8
PubChem CID: 62902
DTXSID: DTXSID7047198
ChEMBL: CHEMBL3186172
ChEBI: CHEBI:179947
UNII: 405SN8638D
EC Number: 254-384-1
Nikkaji: J101.336J

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 10
형식 전하: 0
복잡도: 99

실험 및 물리화학적 성질

Density0.859-0.865

Solubility(in ethanol)

Boiling Point153 °C

Refractive Index1.401-1.404

Physical Description · 2건

CBI; Dry Powder; Liquid; Liquid

colourless to pale yellow liquid

Kovats Retention Index · 3건

923；937；917；917；917；919.4

936；941；940；941

1152；1141；1141

물리화학적 성질

끓는 점: 153 · 153-152 °C (lit.)
밀도: 0.864 g/mL · 0.864 g/mL at 25 °C (lit.)
증기압: 7.56 hPa · 7.56hPa at 20℃
굴절률: 20 · n20/D 1.403(lit.)
FEMA: 3488 · 3488 | ETHYL 2-METHYLPENTANOATE
인화점: 103 °F · 103 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: Liquid
Specific Gravity: 0.864 · 0.864
색상: 무색 내지 거의 무색
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 신선한 과일 녹색 멜론 사과 껍질 파인애플 천연 왁스
냄새 유형: 녹색
생물학적 소스: synthetic
수용성: 467 mg/L · 467mg/L at 20℃
JECFA Number: 214 · 214
주요 응용: 향료 및 향
화장품 원료 기능: 향수
InChI: 1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3
InChIKey: HZPKNSYIDSNZKW-UHFFFAOYSA-N
SMILES: CCCC(C)C(=O)OCC
LogP: 2.09 at · 2.09 at 20℃
NIST: 2 · Pentanoic acid, 2-methyl-, ethyl ester(39255-32-8)
EPA: 2 · Pentanoic acid, 2-methyl-, ethyl ester (39255-32-8)

화학적 성질

Ethyl 2-Methylpentanoate is a colorless liquid with a fruity apple odor. It is used to create fruity top notes in perfumes for many purposes, for example, for shampoos, fabric conditioners, detergents, air fresheners, and soaps.

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 1861 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 · 4건

Chemical: Pentanoic acid, 2-methyl-, ethyl ester

Pentanoic acid, 2-methyl-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanoic acid, 2-methyl-, ethyl ester 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: 03-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10528

Pentanoic acid, 2-methyl-, ethyl ester: 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 · 4건

Chemical: Pentanoic acid, 2-methyl-, ethyl ester

Pentanoic acid, 2-methyl-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanoic acid, 2-methyl-, ethyl ester 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: 03-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10528

Pentanoic acid, 2-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 2
tsca: TSCA listed
ridadr: UN 3272 3/PG 3
HS 번호: 29189900
risk_code: 10
safety_code: 16
포장분류: III
위험 등급: 3
기존화학 물질: KE-13956
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Cellular LocationsExtracellular；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 UsesOther；Fragrance

Industry UsesFragrance；Stabilizing agent

Household ProductsInformation on 67 consumer products that contain Ethyl 2-Methylvalerate in the following categories is provided:；• Auto Products；• Commercial / Institutional；• 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；Plastics Material and Resin Manufacturing

Pentanoic acid, 2-methyl-, ethyl ester: ACTIVE

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

巨野众悦香料有限公司0530-8599699 13701896116 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

화합물 노트

불러오는 중…

에틸 2-메틸발레르산염

기본 정보