2,4-Dimethyl-2-pentenoic acid

HCID 53422899
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기본 정보

CAS
66634-97-7
표준 SMILES
CC(=CC(C)C)C(=O)O
InChIKey
DMHLGGQHOSTMJG-UHFFFAOYSA-N
분자식
C7H12O2
평균 분자량
128.17 g/mol
단동위원소 질량
128.08372962

이름 및 식별자

우선 이름
2,4-Dimethyl-2-pentenoic acid
IUPAC
2,4-dimethylpent-2-enoic acid
영어명
2,4-Dimethyl-2-pentenoic acid
분자식
C7H12O2
분자량
128.17

이름 및 동의어

2,4-Dimethyl-2-pentenoic acid2,4-dimethylpent-2-enoic acidDTXSID20867238RefChem:82498dimethyl-2-pentenoic acidDTXCID808154372,4-DIMETHYL-2-PENTENOIC ACID [FHFI]613-967-4(2E)-2,4-dimethylpent-2-enoic acid2-Pentenoic acid, 2,4-dimethyl-66634-97-7FEMA NO. 3143
이름 더 보기
FEMA 3143FEMA NUMBER 3143RARECHEM AL BM 01292,4-Dimethyl-2-pentenoicacid,predominantlytrans,99%2,4-DiMethyl-2-pentenoic acid, predoMinantly trans, 99%
UNII-YSD821326PYSD821326PMFCD00209505SCHEMBL21716SCHEMBL6719961SCHEMBL9158019SCHEMBL153809062,4-dimethyl-pent-2-enoic acid

데이터베이스 식별자

CAS
66634-97-7
PubChem CID
53422899
DTXSID
DTXSID20867238
ChEBI
CHEBI:173500
EC Number
613-967-4

물성

구조 계산 물성

XLogP
1.7
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
9

실험 및 물리화학적 성질

Density0.991-0.999
Solubility · 2건

Very slightly soluble in water; soluble in oils

soluble (in ethanol)

Boiling Point133-134 °C (15 mm Hg)
Refractive Index1.459-1.467
Physical DescriptionColourless liquid; pungent, sickly sweet

물리화학적 성질

끓는 점
217.1 · 217.1±9.0 °C(Predicted)
밀도
0.949 · 0.949
FEMA
3143 · 3143 | 2,4-DIMETHYL-2-PENTENOIC ACID
굴절률
1.454 · 1.4540
저장 조건
Sealed in dry,Room Temperature
산도 계수 (pKa)
4.99 · 4.99±0.19(Predicted)

화학적 성질

CoE: Used provisionally. Food: 1 ppm FDA: n/a FDA (other): n/a JECFA: ADI: Acceptable. No safety concern at current levels of intake when used as a flavoring agent (2003).

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 Information2-Pentenoic acid, 2,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)

규제 정보

Regulatory Information2-Pentenoic acid, 2,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
WGK 2
tsca
Yes
위험 등급
8
Hazard Classifications
Eye Irrit. 2
스토리지 클래스
11 - Combustible Solids

화학 및 산업

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

공급사9 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

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