피발알데히드

Pivalaldehyde

HCID 12417CAS 630-19-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)(C)C=O
InChIKey
FJJYHTVHBVXEEQ-UHFFFAOYSA-N
분자식
C5H10O
평균 분자량
86.13 g/mol
단동위원소 질량
86.07316494

개요

2,2-dimethylpropanal is a member of the class of propanals that is propanal substituted by two methyl groups at position 2. It is a member of propanals and a 2-methyl-branched fatty aldehyde.

이름 및 식별자

우선 이름
Pivalaldehyde
IUPAC
2,2-dimethylpropanal
현지명
피발알데히드
영어명
Pivaldehyde
분자식
C5H10O
분자량
86.13

이름 및 동의어

Trimethylacetaldehyde630-19-3PIVALALDEHYDEPivaldehyde2,2-DimethylpropanalNeopentanal2,2-DimethylpropionaldehydePivalic aldehydeNEOPENTALDEHYDESSC20260QWalpha,alpha-DimethylpropionaldehydeNSC-22043
이름 더 보기
파이발알데하이드피발알데히드PALtert-Pentanal2,2-dimethyl-propanapropanal,2,2-dimethyl-LRIT1LRRC21
DTXSID2060888CHEBI:141557RefChem:174620DTXCID3043609211-134-6Propanal, 2,2-dimethyl-MFCD00006962tert-Valeraldehyde

데이터베이스 식별자

CAS
630-19-3
PubChem CID
12417
DTXSID
DTXSID2060888
ChEBI
CHEBI:141557
UNII
SSC20260QW
EC Number
211-134-6
Nikkaji
J102.084F

물성

구조 계산 물성

XLogP
1.1
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aldehydes
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure71.2 [mmHg]
Physical DescriptionColorless liquid; [Merck Index] mp = 6 deg C; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
6 °C · 6 °C(lit.)
끓는 점
74 °C730 · 74 °C730 mm Hg(lit.)
밀도
0.793 g/mL · 0.793 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.378(lit.)
인화점
4 °F · 4 °F
저장 조건
2 · 2-8°C

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 66 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 25-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31679
Hazards SummaryAn irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1989 3/PG 2
HS 번호
29121900
risk_code
11-37/38-43
hazard_code
F,Xi,F+

화학 및 산업

용도 및 제조

UsesUsed as a reagent in synthetic organic chemistry; [Merck Index]
General Manufacturing InformationPropanal, 2,2-dimethyl-: ACTIVE
응용 분야 · 2건

개요Trimethylacetaldehyde (also known as Pivaldehyde) is the trimethyl form of acetaldehyde. It is an aldehyde with a sterically bulky R group, the tertiary-butyl group being attached to the carbonyl, >C=O. It is a useful reagent in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. It is useful in streoselective synthesis application as well as in aldol condensation reactions. As a derivative of acetaldehyde, trimethyl acetaldehyde can be used for the production of acetate. It can also be used as the precursor for manufacturing of pyridine derivatives, pentaerythritol, and crotonaldehyde.

용도Commonly used building block in aldol condensation reactions.

상·하류 제품 정보

공급사50 곳

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