Cyclohexanecarboxaldehyde (HCID 16275)

개요

Cyclohexanecarbaldehyde is an aliphatic aldehyde that is cyclohexane substituted by a formyl group at position 1. It has a role as a plant metabolite. It is a carbocyclic compound and an aliphatic aldehyde.

이름 및 식별자

우선 이름: Cyclohexanecarboxaldehyde
IUPAC: cyclohexanecarbaldehyde
영어명: Cyclohexanecarboxaldehyde
분자식: C7H12O
분자량: 112.17

이름 및 동의어

CYCLOHEXANECARBOXALDEHYDE2043-61-0CyclohexanecarbaldehydeCyclohexanalHexahydrobenzaldehydeFormylcyclohexaneCyclohexanealdehydeCyclohexanaldehydeCyclohexylcarboxaldehyde1-FormylcyclohexaneCyclohexylformaldehydeCyclohexane formaldehyde

이름 더 보기

CyclohexancarboxaldehydeBINO-007ohexanecarbaLFormylcyclohexan

CyclohexanaecarboxaldehydeSW0X317TE3NSC-68509DTXSID40174375RefChem:129559DTXCID9096866218-057-7Cyclohexylmethanal

데이터베이스 식별자

CAS: 2043-61-0
PubChem CID: 16275
DTXSID: DTXSID40174375
ChEBI: CHEBI:197359
UNII: SW0X317TE3
EC Number: 218-057-7
Nikkaji: J7.861A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 72.5

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aldehydes

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 34 · 34-35°C
끓는 점: 161 · 161-163 °C (lit.)
밀도: 0.926 g/mL · 0.926 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.452(lit.)
인화점: 105 °F · 105 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 무색투명~엷은 핑크색
수용성: 클로로포름, 에테르, 알코올에 용해됩니다. 물에 약간 용해됩니다.
BRN: 878306 · 878306
InChI: 1S/C7H12O/c8-6-7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKey: KVFDZFBHBWTVID-UHFFFAOYSA-N
SMILES: O=CC1CCCCC1
LogP: 1.9 · 1.900 (est)
NIST: Cyclohexanecarboxaldehyde(2043-61-0)

화학적 성질

Clear colorless to faintly pink liquid

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, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 72 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 25-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20821

Hazards SummaryA skin and strong eye irritant; A lachrymator; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

독성 정보

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

안전 데이터

wgk: 3
ridadr: UN 1989 3/PG 3
HS 번호: 29122990
risk_code: 10-36/37/38-36
hazard_code: Xi,F
safety_code: 16-26-36-37/39
포장분류: III
위험 등급: 3
F 고인화성물질: 8-9-23
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Cyclohexanecarboxaldehyde was used to study gas-phase microwave spectrum of cyclohexanecarboxaldehyde. It was used for the synthesis of poly(vinyl cyclohexanal). It was used as model substrate in the synthesis of propargylamines using Fe3O4 nanoparticles as catalyst. It was employed in an aldol reaction with ethyl diazoacetate catalyzed by basic, nanoparticulate magnesium oxide leading to α-diazo-β-hydroxyesters.