基本情報
- CAS
10143-23-4- 標準SMILES
CCC(C)C(C)CO- InChIKey
MIBBFRQOCRYDDB-UHFFFAOYSA-N- 分子式
- C7H16O
- 平均分子量
- 116.2 g/mol
- 単同位体質量
- 116.12011513
概要
2,3-dimethyl-1-pentanol is a clear colorless liquid. (NTP, 1992)
名称と識別子
- 優先名称
- 2,3-Dimethyl-1-pentanol
- IUPAC
- 2,3-dimethylpentan-1-ol
- 現地名
- 2,3-ジメチル-1-ペンタノール
- 英語名
- 2,3-DIMETHYL-1-PENTANOL
- 分子式
- C7H16O
- 分子量
- 116.2
名称と別名
2,3-DIMETHYL-1-PENTANOL10143-23-41-Pentanol, 2,3-dimethyl-2,3-DimethylpentanolHSDB 6025CCRIS 60231-Pentanol, 2,3-dimethyl-, (3S)-(-)-NSC 103151BRN 1731660W7L86741YCNSC-103151DTXSID1025142
名称をさらに表示
2,3-ジメチル-1-ペンタノール2,3-ジメチルペンタン-1-オール2,3-dimethyl-1-pentano2,3-Dimethylpentan-1-olDimethylpentanolthreoerythro3-dimethyl-(3s)-(-)-1-pentano2,3-dimethyl-(3s)-(-)-1-pentanol2,3-DIMETHYL-1-PENTANOL, THREO + ERYTHRO 99%
4-01-00-01752 (Beilstein Handbook Reference)2,3-DIMETHYLPENTANOL [HSDB]2,3Dimethylpentanol1Pentanol, 2,3dimethylRefChem:442469DTXCID7051421Pentanol, 2,3dimethyl, (3S)()1-Pentanol, 2,3-dimethyl-, (3S)-(-)-(8CI)
データベース識別子
- CAS
10143-23-4- PubChem CID
- 25006
- DTXSID
DTXSID1025142- UNII
- W7L86741YC
- Nikkaji
- J34.527J
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 3
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 52.3
実験および物理化学的性質
SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesBoiling point
Density0.839 at 73.9 °F (NTP, 1992) - Less dense than water; will float
Solubility1 to 5 mg/mL at 72.5 °F (NTP, 1992)
Flash Point
142 °F (NTP, 1992)
61 °C
Boiling Point311 to 313 °F at 760 mmHg (NTP, 1992)
Vapor Pressure1 mmHg at 122 °F ; 20 mmHg at 158 °F; 60 mmHg at 203 °F (NTP, 1992)
Physical Description
2,3-dimethyl-1-pentanol is a clear colorless liquid. (NTP, 1992)
Colorless liquid; [CAMEO]
物理化学的性質
- 融点
- -30.45 °C · -30.45°C (estimate)
- 沸点
- 147.3 °C · 147.3°C (estimate)
- 比重(密度)
- 0.834 · 0.8340
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。
危険有害性情報
Regulatory Information1-Pentanol, 2,3-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsThis compound is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this chemical may include skin irritation.
Hazards SummaryOral LD50 (rat) = 2380 uL/kg; [RTECS] May cause skin irritation; [CAMEO] An irritant; [MSDSonline] See 1-Pentanol.
Reactive GroupAlcohols and Polyols
Reactivity Profile
2,3-DIMETHYL-1-PENTANOL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Air and Water ReactionsSlightly soluble in water.
安全と保護具
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
化学と産業
応用分野
一般的な説明Clear colorless liquid.
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