2-Heptanol

HCID 10976CAS 52390-72-4

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

2-HEPTANOLHeptan-2-ol543-49-7s-Heptyl alcohol2-Heptyl alcohol2-HydroxyheptaneAmyl methyl carbinol1-MethylhexanolMethyl amyl carbinolHeptanol-2Heptyl alcohol, sec-2-Heptanol (natural)
名称をさらに表示
FEMA No. 3288NSC 2220DTXSID1047158EINECS 208-844-3E12FIG07JKBRN 1719088AI3-11263NSC-2220

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

実験および物理化学的性質

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 件

Relative density (water = 1): 0.82

0.817-0.819 (20 °C)

Flavoring AgentsEU Flavoring substances

安全と法規制

GHS分類

GHS Classification · 5 件

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 · 4 件

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 件

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 件

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]

安全と保護具

Fire Fighting · 2 件

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 件

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 件

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

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 件

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

Cellular LocationsCytoplasm

用途と製造

Uses · 2 件

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 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

2-Heptanol: ACTIVE

サプライヤー50 社

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関連反応

9 件

関連ノート

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