基本情報
- CAS
26635-64-3- 標準SMILES
CCCCCC(C)C- InChIKey
JVSWJIKNEAIKJW-UHFFFAOYSA-N- 分子式
- C8H18
- 平均分子量
- 114.23 g/mol
- 単同位体質量
- 114.14085058
概要
2-methylheptane is an alkane.
名称と識別子
- 優先名称
- 2-Methylheptane
- IUPAC
- 2-methylheptane
- 英語名
- isooctane
- 分子式
- C8H18
- 分子量
- 114.23
名称と別名
名称をさらに表示
データベース識別子
- CAS
26635-64-3、28777-67-5、592-27-8- PubChem CID
- 11594
- DTXSID
DTXSID2060460- ChEBI
CHEBI:88849- UNII
- YU6SU8CCVB
- EC Number
- 209-747-9
- Nikkaji
- J43.430B
物性
構造計算による物性
- XLogP
- 4.3
- 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
- 4
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 37.3
実験および物理化学的性質
Density
Relative density (water = 1): 0.698
0.608 @25 °C
Boiling Point
116 °C
118 °C @760 [mm Hg]
Melting Point
-109 °C
-109 °C
Vapor Pressure
20.7 [mmHg]
Vapor pressure, kPa at 38 °C: 5.3
Physical Description
Colorless liquid; [ICSC]
COLOURLESS LIQUID.
物理化学的性質
- 融点
- -105 ℃ · -105℃
- 沸点
- 99 ℃ · 99℃
- EPAの化学物質情報
- Isooctane (26635-64-3)
安全と法規制
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
DOT Hazard Classification
2-Methylheptane
Marine pollutant
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flammable liquids - Category 2
Flam. Liq. 2
安全と保護具
First Aid Measures
Fresh air, rest.
Remove contaminated clothes. Rinse and then wash skin with water and soap.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Do NOT induce vomiting.
Spillage Disposal
Evacuate danger area! Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance.
毒性情報
Exposure Routes
The substance can be absorbed into the body by inhalation.
Oral (L400) ; inhalation (L400) ; dermal (L400)
Signs and Symptoms
Dry skin. Redness.
Petroleum distillate poisoning may cause nausea, vomiting, cough, pulmonary irritation progressing to pulmonary edema, bloody sputum, and bronchial pneumonia. At high amounts, central nervous system depression may also occur, with symptoms such as weakness, dizziness, slow and shallow respiration, unconsciousness, and convulsions. Petroleum distillates are also irritating to the skin. (A594)
安全データ
- tsca
- TSCA listed
- ridadr
- 1262
- 消防法
- 第1石油類非水溶性
- hazard_class
- 3.1
- packing_group
- II
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