2-庚醇

2-Heptanol

HCID 10976CAS 52390-72-4

基本信息

标准SMILES
CCCCCC(C)O
InChIKey
CETWDUZRCINIHU-UHFFFAOYSA-N
分子式
C7H16O
平均分子量
116.2 g/mol
单同位素质量
116.12011513

概述

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.

名称与标识

首选名称
2-Heptanol
IUPAC
heptan-2-ol
英文名
2-Heptanol
分子式
C7H16O
分子量
116.20134

名称与别名

2-HEPTANOLHeptan-2-ol543-49-7s-Heptyl alcohol2-Heptyl alcohol2-HydroxyheptaneAmyl methyl carbinol1-MethylhexanolMethyl amyl carbinolHeptanol-2Heptyl alcohol, sec-2-Heptanol (natural)
展开更多名称
FEMA No. 3288NSC 2220DTXSID1047158EINECS 208-844-3E12FIG07JKBRN 1719088AI3-11263NSC-2220

数据库标识

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

性质

结构计算性质

XLogP
2.3
极性表面积
20.2 Ų
氢键供体
1
氢键受体
1
可旋转键
4
重原子
8

实验与物化性质

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SolventsSolvents -> Alcohols (<C12)
FragrancesFragrance Ingredient (2-Heptanol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 2 条

Relative density (water = 1): 0.82

0.817-0.819 (20 °C)

Flavoring AgentsEU Flavoring substances

安全与法规

GHS分类

GHS Classification · 5 条

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.

危害信息

Regulatory Information · 4 条

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

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelCombustible Liquid
Fire Hazards · 2 条

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Combustible. Above 71 °C explosive vapour/air mixtures may be formed.

Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards Summary · 1 条

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]

安全与防护

Fire Fighting · 2 条

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 · 4 条

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.

First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Safe StorageSeparated from strong oxidants.
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Spillage Disposal · 1 条

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.

毒理信息

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms · 4 条

Cough. Sore throat.

Dry skin.

Redness. Pain.

Burning sensation.

化学与工业

药理信息

Cellular LocationsCytoplasm

用途与制造

Uses · 2 条

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]

U.S. Production2023: 75,000 - <500,000 lb
Industry UsesNot Known or Reasonably Ascertainable
Use Classification · 3 条

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 条

All Other Basic Organic Chemical Manufacturing

2-Heptanol: ACTIVE

应用领域

概述2-Heptanol 是姜黄和姜黄根茎精油中鉴定出的化学成分之一。根茎精油具有良好的抗菌和抗氧化活性。

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

相关反应

9 条

关联笔记

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