CAS 591-21-9 1,3-Dimethylcyclohexane (HCID 11564)

기본 정보

CAS: 591-21-9
표준 SMILES: CC1CCCC(C)C1
InChIKey: SGVUHPSBDNVHKL-UHFFFAOYSA-N
분자식: C8H16
평균 분자량: 112.21 g/mol
단동위원소 질량: 112.12520051

이름 및 식별자

우선 이름: 1,3-Dimethylcyclohexane
IUPAC: 1,3-dimethylcyclohexane
현지명: 1,3-디메틸 사이클로헥산
영어명: 1,3-Dimethylcyclohexane
분자식: C8H16
분자량: 112.21

이름 및 동의어

1,3-DIMETHYLCYCLOHEXANE591-21-9Cyclohexane, 1,3-dimethyl-1,3-Dimethylcyclohexane,c&tm-DimethylcyclohexaneEINECS 209-707-0UNII-GXC28JSY8GGXC28JSY8GDTXSID108587311,3-Dimethylcyclohexane cis-transcis,trans-1,3-DimethylcyclohexaneUN 2263

이름 더 보기

1,3-디메틸사이클로헥산1,3-다이메틸사이클로헥세인hexahydroxyleneHEXAHYDRO-M-XYLENECyclohexane Impurity 3311,3-DIMETHYLCYCLOHEXANE1,3-DiMethylcyclohexane (1S,3S)-1,3-Dimethylcyclohexane

RefChem:72730Cyclohexane, 1,3dimethylDTXCID10809465209-707-0InChI=1/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2HSGVUHPSBDNVHKL-UHFFFAOYSA-NUN226313-Dimethylcyclohexane

데이터베이스 식별자

CAS: 591-21-9
PubChem CID: 11564
DTXSID: DTXSID10858731
ChEMBL: CHEMBL1952259
EC Number: 209-707-0
Nikkaji: J135.638K

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 58.4

실험 및 물리화학적 성질

SolventsSolvents -> Aliphatics, Saturated (<C12)

SpringerMaterials PropertiesDensity

Vapor Pressure21.4 [mmHg]

Physical DescriptionColorless liquid; [Acros Organics MSDS]

물리화학적 성질

녹는점: -71.62 °C · -71.62°C (estimate)
끓는 점: 121 · 121-124 °C(lit.)
밀도: 0.767 g/mL · 0.767 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.426(lit.)
인화점: 49 °F · 49 °F
저장 조건: Flammables area
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Odor Threshold: 0.33 ppm · 0.33ppm
BRN: 1900339 · 1900339
InChI: 1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3
InChIKey: SGVUHPSBDNVHKL-UHFFFAOYSA-N

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (92.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationCyclohexane, 1,3-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryExplosive mixtures can be produced with air; Highly flammable; An irritant; [Aldrich MSDS] May have anesthetic effects causing drowsiness, dizziness, and headache; Overexposure may cause skin and eye irritation; [ChemSampCo MSDS]

Hazard Classes and CategoriesFlam. Liq. 2 (92.5%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk: 3
ridadr: UN 2263 3/PG 2
HS 번호: 2902.19.0050
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-36/37/39
포장분류: II
위험 등급

화학 및 산업

용도 및 제조

UsesUsed as an intermediate and special solvent (a mixture of all isomers); [Hawley]

응용 분야

용도1,3-Dimethylcyclohexane was used to study ring opening reaction of 1,3-dimethylcyclohexane over Iridium catalysts modified by the addition of K and Ni.

일반 설명cis-1,3-Dimethylcyclohexane undergoes ring opening reaction via dicarbene mechanism in the presence of iridium catalyst supported on SiO2.

공급사33 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

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