CAS 16957-70-3 2-Methylpent-2-en-1-oic acid (HCID 18458)

개요

2-Methyl-2-pentenoic acid has been reported in Fragaria with data available.

이름 및 식별자

우선 이름: 2-Methylpent-2-en-1-oic acid
IUPAC: 2-methylpent-2-enoic acid
현지명: 트랜스-2-메틸-2-펜텐오 산
영어명: trans-2-Methyl-2-pentenoic acid
분자식: C6H10O2
분자량: 114.14

이름 및 동의어

DTXSID00519982-Methylpent-2-en-1-oic acidRefChem:1063842DTXCID7030561221-552-02-METHYL-2-PENTENOIC ACID3142-72-12-methylpent-2-enoic acid2-Pentenoic acid, 2-methyl-StrawberriffMFCD00002655Pentenoic acid, 2-methyl-

이름 더 보기

트랜스-2-메틸-2-펜텐오산트랜스-2-메틸-2-펜텐오산(TRANS-2-METHYL-2-PENTENOICACID)(E)-2-Methylpent-2-enoic acidFEMA 3195FEMA NUMBER 3195(e)-2-pentenoicaciMethyl-2-pentenoicRARECHEM AL BE 0127METHYL-2-PENTENSAEURE, 2-(E) 2-METHYL PENTENOIC ACID(E)-2-Methylpent-2-en-1-sure

methylpent-2-enoic acid2-methyl-pent-2-enoic acidSCHEMBL17819SCHEMBL295472SCHEMBL3599231SCHEMBL27331401JJYWRQLLQAKNAD-UHFFFAOYSA-Ns6327

데이터베이스 식별자

CAS: 16957-70-3、3142-72-1
PubChem CID: 18458
DTXSID: DTXSID0051998
EC Number: 221-552-0

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 114

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

Fragrances · 2건

Fragrance Ingredient (2-Methyl-2-pentenoic acid) -> IFRA transparency List

Fragrance Ingredient (2-Methylpent-2-en-1-oic acid) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.976-0.982

Flavoring AgentsEU Flavoring substances

Solubility · 2건

Slightly soluble in water; soluble in chloroform, carbon disulfide, ether

soluble (in ethanol)

물리화학적 성질

녹는점: 26 · 26-28 °C (lit.)
끓는 점: 123 · 123-125 °C/30 mmHg (lit.)
밀도: 0.979 g/mL · 0.979 g/mL at 25 °C
증기 밀도: 1 · >1 (vs air)
증기압: 1.63 Pa · 1.63Pa at 24℃
굴절률: 20 · n20/D 1.46(lit.)
FEMA: 3195 · 3195 | 2-METHYL-2-PENTENOIC ACID
인화점: 226 °F · 226 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 투명한 액체
산도 계수 (pKa): 5 · 5.00±0.19(Predicted)
색상: Colorless to Light orange to Yellow
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 과일향이 나는 딸기 우디
냄새 유형: 과일 같은
생물학적 소스: synthetic
수용성: 불용성
주요 응용: 향료 및 향
화장품 원료 기능: 향수
InChI: 1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+
InChIKey: JJYWRQLLQAKNAD-SNAWJCMRSA-N
SMILES: CC\C=C(/C)C(O)=O
LogP: 1.9 at · 1.9 at 25℃
NIST: 2 · 2-Pentenoic acid, 2-methyl-, (E)-(16957-70-3)
EPA: 2 · 2-Pentenoic acid, 2-methyl-, (2E)- (16957-70-3)

화학적 성질

clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1303 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 2-Pentenoic acid, 2-methyl-

Regulation (EC) No 1831/2003 (amended)

2-Pentenoic acid, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pentenoic acid, 2-methyl- 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)

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

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 2
tsca: TSCA listed
ridadr: UN 3261 8/PG 3
HS 번호: 2916199590
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
기존화학 물질: KE-24744
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

U.S. Production2023: 349 lb

Consumer UsesFragrance

Household ProductsInformation on 5 consumer products that contain 2-Methylpent-2-Enoic Acid in the following categories is provided:

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information2-Pentenoic acid, 2-methyl-: ACTIVE

응용 분야 · 2건

출처Reported found in strawberry

일반 설명Adsorption and desorption of trans-2-methyl-2-pentenoic acid in dichloromethane has been investigated by using in situ attenuated total reflection infrared spectroscopy. Asymmetric hydrogenation of trans-2-methyl-2-pentenoic acid in hexane over two well defined E-40692 and E-5220 Engelhard Pd/Al2O3 catalysts modified with cinchonidine has been studied.

제조 방법

By distillation of 2-hydroxy-2-methylvaleric acid (cis-form).

상·하류 제품 정보

상류 원료

공급사100 곳

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

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

武汉绿景丰华生物科技有限公司19972070065 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

Syntechem Co.,Ltd[email protected]

화합물 노트

불러오는 중…

트랜스-2-메틸-2-펜텐오 산

기본 정보

개요