2,3-Dimethylpentanal

HCID 61917CAS 32749-94-3

기본 정보

표준 SMILES: CCC(C)C(C)C=O
InChIKey: BOHKXQAJUVXBDQ-UHFFFAOYSA-N
분자식: C7H14O
평균 분자량: 114.19 g/mol
단동위원소 질량: 114.10446507

이름 및 식별자

우선 이름: 2,3-Dimethylpentanal
IUPAC: 2,3-dimethylpentanal
영어명: 2,3-DIMETHYLPENTANAL
분자식: C7H14O
분자량: 114.19

이름 및 동의어

2,3-Dimethylpentanal2,3-Dimethylvaleraldehyde2,3-DimethylpentaldehydeDTXSID1022213RefChem:442544DTXCID102213251-193-532749-94-3Pentanal, 2,3-dimethyl-Valeraldehyde, 2,3-dimethyl-2,3-Dimethyl-pentanalCHEMBL18278

이름 더 보기

Butanal, 3-ethyl-2-methyl2,3-dimethyl-valeraldehyd

EINECS 251-193-5NSC 73707BRN 1901854AI3-33228NSC737073944-76-1Pentanal,3-dimethyl-Valeraldehyde,3-dimethyl-

데이터베이스 식별자

CAS: 32749-94-3
PubChem CID: 61917
DTXSID: DTXSID1022213
ChEMBL: CHEMBL18278
EC Number: 251-193-5
Nikkaji: J54.450G

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 68.8

실험 및 물리화학적 성질

Chemical ClassesFlammable agents - 3rd degree

물리화학적 성질

녹는점: -43.35 °C · -43.35°C (estimate)
끓는 점: 143.73 °C · 143.73°C (estimate)
밀도: 0.8225 · 0.8225 (estimate)
굴절률: 1.4108 · 1.4108 (estimate)
냄새: 1 % · 디프로필렌 글리콜 중 1.00%. 녹색의 우아한 냄새
냄새 유형: 녹색
LogP: 2.13 · 2.130 (est)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P272, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazard Classes and Categories · 2건

Flam. Liq. 3 (100%)

Flammable agents - 3rd degree

안전 데이터

ridadr: 1989
risk_code: 10
safety_code: 16
포장분류: III
위험 등급: 3.2

화학 및 산업

응용 분야

용도2,3-Dimethylpentanal is present as a volatile flavor compound in fermented sausages and Anas platyrhynchos pressed salted duck. It is an intermediate in the synthesis of Mebutizide (M202550) which is a thiazide diuretic.

공급사13 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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南通合润生物科技有限公司18362409333 · [email protected]

上海湄水化工科技有限公司021-60549325 18616193163

浙江博华环境技术工程有限公司13736605360

연결된 노트

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