基本情報
- 標準SMILES
CCCCCC(C)O- InChIKey
CETWDUZRCINIHU-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-heptanol appears as a clear colorless alcohol with a mild alcohol odor. Insoluble in water. Floats on water. Soluble in most organic liquids. Moderately toxic. Used as a solvent for various resins and as a flotation agent for ore processing.
名称と識別子
- 優先名称
- 2-Heptanol
- IUPAC
- heptan-2-ol
- 英語名
- 2-Heptanol
- 分子式
- C7H16O
- 分子量
- 116.20134
名称と別名
名称をさらに表示
データベース識別子
- CAS
52390-72-4、543-49-7- PubChem CID
- 10976
- DTXSID
DTXSID1047158- ChEMBL
CHEMBL449522- ChEBI
CHEBI:88815- UNII
- E12FIG07JK
- EC Number
- 208-844-3
- Nikkaji
- J6.402E
物性
構造計算による物性
- XLogP
- 2.3
- 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
- 4
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 43.7
実験および物理化学的性質
Density
Relative density (water = 1): 0.82
0.817-0.819 (20 °C)
Solubility
Solubility in water, g/100ml: 0.35
soluble in alcohol and ether; slightly soluble in water
(in ethanol)
Flash Point
160 °F (NFPA, 2010)
71 °C c.c.
Boiling Point
158-160 °C
157-161 °C
Vapor Pressure
1.23 [mmHg]
Vapor pressure, kPa at 20 °C: 0.133
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.1% (2 of 1799) of reports.
Warning
H226 (96.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P317, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1799 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2-Heptanol
2-Heptanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Heptanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 04-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23153
2-Heptanol: Does not have an individual approval but may be used under an appropriate group standard
Fire Hazards
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Combustible. Above 71 °C explosive vapour/air mixtures may be formed.
Hazards Summary
A severe eye irritant; A respiratory tract and mild skin irritant; Can be absorbed through skin; Defats the skin; [ICSC] Based on animal studies, a severe eye irritant that may cause permanent damage; Inhalation of high concentrations may cause CNS depression; [CHEMINFO] An eye irritant; [eChemPortal: ERMA] An irritant; Can be absorbed through skin; [MSDSonline]
Reactivity Profile
2-HEPTANOL 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.
安全と保護具
Fire Fighting
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Use alcohol-resistant foam, dry powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
Fresh air, rest.
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. Give one or two glasses of water to drink.
Spillage Disposal
Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in covered containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
毒性情報
Signs and Symptoms
Cough. Sore throat.
Dry skin.
Redness. Pain.
Burning sensation.
安全データ
- 注意喚起語
- 警告
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H226
化学と産業
薬理情報
用途と製造
Uses
Found in oil of cloves; [Merck Index] Used as solvent for resins and a frothing agent for ore flotation; [Hawley]
Plastic Composites Manufacturing [Category: Industry]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2-Heptanol: ACTIVE
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