基本情報
- CAS
2207-04-7- 標準SMILES
CC1CCC(C)CC1- InChIKey
QRMPKOFEUHIBNM-UHFFFAOYSA-N- 分子式
- C8H16
- 平均分子量
- 112.21 g/mol
- 単同位体質量
- 112.12520051
概要
1,4-dimethylcyclohexane is a cycloalkane that is cyclohexane substituted by a methyl group at positions 1 and 4. It has a role as a plant metabolite and a human metabolite. It derives from a hydride of a cyclohexane.
名称と識別子
- 優先名称
- 1,4-Dimethylcyclohexane
- IUPAC
- 1,4-dimethylcyclohexane
- 英語名
- cis-1,4-Dimethylcyclohexane
- 分子式
- C8H16
- 分子量
- 0
名称と別名
1,4-DIMETHYLCYCLOHEXANE589-90-2HexahydroxyleneCyclohexane, 1,4-dimethyl-Hexahydro-p-xylenep-Dimethylcyclohexane1,4-dimethyl cyclohexane1,4-dimethyl-cyclohexaneEINECS 209-663-2NSC 44845DTXSID5075284CHEBI:165732
名称をさらに表示
4C75P10R7GNSC-44845pDimethylcyclohexaneRefChem:416872Cyclohexane, 1,4dimethylDTXCID1042497Cyclohexane, 1,4-dimethyl-(8CI)Cyclohexane, 1,4-dimethyl-(8CI)(9CI)
データベース識別子
- CAS
2207-04-7、589-90-2、624-29-3- PubChem CID
- 11523
- DTXSID
DTXSID5075284- ChEBI
CHEBI:165732- UNII
- 417GE5869Y、8NUV3O4B1R
- EC Number
- 209-663-2、210-840-1、218-622-8
- Nikkaji
- J34.004I、J43.405A、J43.406J
物性
構造計算による物性
- XLogP
- 3.8
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 48.4
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesDensity
Density0.7829 @25 °C
Boiling Point124.4 °C @760 [mm Hg]
Melting Point-87.4 °C
Physical DescriptionClear colorless liquid with an odor like petroleum; [CAMEO]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Hazards SummaryA skin irritant; An aspiration hazard by ingestion (may cause lung damage); May cause organ injury; [Sigma-Aldrich MSDS] See Cyclohexane.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flam. Liq. 2 (100%)
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flam. Liq. 2
安全と保護具
Protective Action Criteria (PAC)
150 [ppm]
1700 [ppm]
10000 [ppm]
毒性情報
Adverse EffectsNeurotoxin - Acute solvent syndrome
化学と産業
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