Cyclohexanone, 2-hydroxy-

HCID 10785CAS 30282-14-5

기본 정보

표준 SMILES: O=C1CCCCC1O
InChIKey: ODZTXUXIYGJLMC-UHFFFAOYSA-N
분자식: C6H10O2
평균 분자량: 114.14 g/mol
단동위원소 질량: 114.06807956

이름 및 식별자

우선 이름: Cyclohexanone, 2-hydroxy-
IUPAC: 2-hydroxycyclohexan-1-one
영어명: 2-Hydroxycyclohexanone dimer
분자식: C6H10O2
분자량: 228.28

이름 및 동의어

2-Hydroxycyclohexan-1-one2-HYDROXYCYCLOHEXANONE533-60-8Cyclohexanone, 2-hydroxy-2-Hydroxy-1-cyclohexanoneNSC 298536Cyclohexanone, 2-hydroxy-, dimerEINECS 208-570-4NSC 117392AI3-06549CHEBI:17878DTXSID10883427

이름 더 보기

AKOS 924612-HYDROXY-CYCLOHEXANONE2-Hydroxycyclohexanonedimer,98%2-Hydroxycyclohexanone dimer 98%2-HYDROXYCYCLOHEXANONE, DIMER, 90+%2-Hydroxycyclohexanone dimer,Adipoin

2Hydroxy1cyclohexanone2Hydroxycyclohexan1oneCyclohexanone, 2hydroxyRefChem:580725DTXCID601022958208-570-4InChI=1/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4HAdipoin

데이터베이스 식별자

CAS: 30282-14-5、533-60-8
PubChem CID: 10785
DTXSID: DTXSID10883427
ChEBI: CHEBI:17878
EC Number: 208-570-4
Nikkaji: J11.716A

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 98

실험 및 물리화학적 성질

Kovats Retention Index · 2건

955；971

1643

물리화학적 성질

녹는점: 100 · 100-107 °C(lit.)
끓는 점: 83 · 83-86 °C13 mm Hg(lit.)
인화점: 175 °F · 175 °F
저장 조건: 2 · 2-8°C
물리적 상태: 가루
색상: 회백색
수용성: 물에 부분적으로 섞임.
InChI: 1S/C12H20O4/c13-11-7-3-1-5-9(11)15-12(14)8-4-2-6-10(12)16-11/h9-10,13-14H,1-8H2
InChIKey: OLLWHBLCQGPTMZ-UHFFFAOYSA-N
SMILES: OC12CCCCC1OC3(O)CCCCC3O2

화학적 성질

Off-white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H228 (100%): Flammable solid [Danger Flammable solids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationCyclohexanone, 2-hydroxy-, dimer: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySee 3-Methylcyclohexanone and o-Methylcyclohexanone.

규제 정보

Regulatory InformationCyclohexanone, 2-hydroxy-, dimer: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
ridadr: UN 1325 4.1/PG 3
HS 번호: 29144090
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-36
포장분류: III
위험 등급: 4.1
F 고인화성물질: 9-21
Hazard Classifications: Eye Irrit. 2Flam. Sol. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationCyclohexanone, 2-hydroxy-: ACTIVE

응용 분야 · 1건

용도Reactant involved in:• ;Synthesis of substrated for tin tetrachloride mediated fragmentation to produce ynones and ynoates1• ;Tandem oxidation coupling reactions with diamines2• ;Asymmetric allylic alkylation of enolates3• ;Formate reduction of allylic carbonates for polypropionate systems4