基本情報
- CAS
562-49-2- 標準SMILES
CCC(C)(C)CC- InChIKey
AEXMKKGTQYQZCS-UHFFFAOYSA-N- 分子式
- C7H16
- 平均分子量
- 100.2 g/mol
- 単同位体質量
- 100.12520051
概要
3,3-dimethylpentane has been reported in Pinus densiflora, Microbiota decussata, and other organisms with data available.
名称と識別子
- 優先名称
- 3,3-Dimethylpentane
- IUPAC
- 3,3-dimethylpentane
- 英語名
- 3,3-Dimethylpentane
- 分子式
- C7H16
- 分子量
- 100.2
名称と別名
3,3-DIMETHYLPENTANE562-49-2Pentane, 3,3-dimethyl-Pentane,3,3-dimethyl-R1RH0VBD2LDTXSID0049319NSC-74150RefChem:1113612209-230-8UNII-R1RH0VBD2L3.3-Dimethyl pentaneEINECS 209-230-8
名称をさらに表示
MFCD00009322NSC 74150NSC741503,3-dimethyl-pentaneSCHEMBL38441SCHEMBL57087SCHEMBL57088SCHEMBL83071
データベース識別子
- CAS
562-49-2- PubChem CID
- 11229
- DTXSID
DTXSID0049319- ChEMBL
CHEMBL3188231- UNII
- R1RH0VBD2L
- EC Number
- 209-230-8
- Nikkaji
- J43.408F
物性
構造計算による物性
- XLogP
- 3.6
- 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
- 2
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 38
実験および物理化学的性質
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
LogP5.19
Vapor Pressure82.7 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- -134.9 °C · -134.9 °C
- 沸点
- 86 °C · 86 °C
- 比重(密度)
- 0.6952 g/cm3 · 0.6952 g/cm3
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 (55.3%): 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
Regulatory Information3,3-dimethylpentane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin irritant; Harmful by ingestion (may cause lung damage by aspiration); Inhalation may cause dizziness and drowsiness; [Alfa Aesar MSDS]
Hazard Classes and Categories
Flam. Liq. 2 (55.3%)
Flammable liquid - category 2
Flam. Liq. 2
毒性情報
TreatmentTreatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. (A600)
Health EffectsPetroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. (A600, L1297)
化学と産業
薬理情報
Metabolism/MetabolitesVolatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. (A600)
用途と製造
UsesHeptanes may be found in gasoline and are widely used as solvents. They are also sold as fuel for outdoor stoves. (L1289)
Household ProductsInformation on 7 consumer products that contain 3,3-Dimethylpentane in the following categories is provided:
General Manufacturing InformationPentane, 3,3-dimethyl-: ACTIVE
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