化工社化工社化学情報印刷レポート · 研究参考用

HCID 11675作成日：2026年11月3日

2,2,3,3-Tetramethylbutane

https://huagongshe.com/ja/chemical/11675

識別子と物理属性

CAS No.	594-82-1
分子式	C8H18
平均分子量	114.23 g/mol
単同位体質量	114.14085057 g/mol
SMILES	CC(C)(C)C(C)(C)C
InChIKey	OMMLUKLXGSRPHK-UHFFFAOYSA-N
PubChem CID	11675
EC No.	209-855-6
DTXSID	DTXSID9073204

化学・物理的性質

XLogP	3.7
極性表面積	0
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	1
重原子数	8
形式電荷	0
複雑度	55
Solvents	Solvents -> Aliphatics, Saturated (<C12)
SpringerMaterials Properties	Schoenflies notation
蒸気圧	20.9 [mmHg]
Physical Description	Nearly white solid[Sigma-Aldrich MSDS]
融点	100.7 °C
沸点	106.4 °C
密度	0.823 g/cm3(Temp: 23 °C)

安全性と法規制

GHS 分類	DangerH225: 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)H228 (95.1%): Flammable solid [Danger Flammable solids]P210, P240, P241, P261, P264, P271, P273, P280, P301+P316, P302+P352, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
有害性の概要	May cause irritation[Sigma-Aldrich MSDS]
Hazard Classes and Categories	Flam. Sol. 1 (95.1%)Flammable liquid - category 2Flam. Liq. 2
Treatment	Treatment 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)
健康影響	Petroleum 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)
有害作用	Neurotoxin - Acute solvent syndrome
暴露経路	Oral (L400)inhalation (L400)dermal (L400)
毒性の概要	Petroleum distillates are central nervous system depressants and cause pulmonary damage. (A600)
Signs and Symptoms	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)
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).

CAS No.

594-82-1

分子式

C8H18

平均分子量

114.23 g/mol

単同位体質量

114.14085057 g/mol

SMILES

CC(C)(C)C(C)(C)C

InChIKey

OMMLUKLXGSRPHK-UHFFFAOYSA-N

PubChem CID

11675

EC No.

209-855-6

DTXSID

DTXSID9073204

化学・物理的性質

XLogP

3.7

極性表面積

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

Solvents

Solvents -> Aliphatics, Saturated (<C12)

SpringerMaterials Properties

Schoenflies notation

蒸気圧

20.9 [mmHg]

Physical Description

Nearly white solid[Sigma-Aldrich MSDS]

融点

100.7 °C

沸点

106.4 °C

密度

0.823 g/cm3(Temp: 23 °C)

安全性と法規制

GHS 分類

DangerH225: 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)H228 (95.1%): Flammable solid [Danger Flammable solids]P210, P240, P241, P261, P264, P271, P273, P280, P301+P316, P302+P352, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

有害性の概要

May cause irritation[Sigma-Aldrich MSDS]

Hazard Classes and Categories

Flam. Sol. 1 (95.1%)Flammable liquid - category 2Flam. Liq. 2

Treatment

Treatment 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)

健康影響

Petroleum 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)

有害作用

Neurotoxin - Acute solvent syndrome

暴露経路

Oral (L400)inhalation (L400)dermal (L400)

毒性の概要

Petroleum distillates are central nervous system depressants and cause pulmonary damage. (A600)

Signs and Symptoms

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)

Carcinogen Classification

No indication of carcinogenicity to humans (not listed by IARC).