2-ペンタノール

2-Pentanol

HCID 22386CAS 26184-62-3

基本情報

標準SMILES
CCCC(C)O
InChIKey
JYVLIDXNZAXMDK-UHFFFAOYSA-N
分子式
C5H12O
平均分子量
88.15 g/mol
単同位体質量
88.088815

概要

Sec-amyl alcohol appears as a clear colorless liquid with a strong odor. Moderately toxic by ingestion and vapors may irritate skin and eyes. Vapors are heavier than air.

名称と識別子

優先名称
2-Pentanol
IUPAC
pentan-2-ol
現地名
(S)-(+)-2-ペンタノール
英語名
(S)-(+)-2-Pentanol
分子式
C5H12O
分子量
88.15

名称と別名

2-PENTANOLPentan-2-ol6032-29-7sec-Amyl alcoholMethylpropylcarbinolsec-Pentyl alcohol2-Pentyl alcohol1-Methyl-1-butanolMethyl propyl carbinol2-HydroxypentanePentanol-2alpha-Methylbutanol
名称をさらに表示
(S)-(+)-2-ペンタノール[S,(+)]-2-ペンタノール(2S)-2-ペンタノール(S)-ペンタン-2-オール(S)-2-ペンタノールS-(+)-2-ペンタノールS‐(+)‐2‐ペンタノール(2S)-ペンタン-2-オール(S)-2-PENTANOLFEMA 3316(S)-Pentan-2-ol(S)-(-)-2-PENTANOL(+)-2-Pentanol(2S)-2-PentanolS-N-AMYL ALCOHOL(2S)-pentan-2-ol
1-Methylbutanolsec-n-Amyl alcoholIsoamyl alcohol, secondaryFEMA No. 3316DL-2-PentanolDTXSID3052721CHEBI:7751804G7050365

データベース識別子

CAS
26184-62-3、26635-63-2、31087-44-2、50858-14-5、51000-78-3、584-02-1、6032-29-7
PubChem CID
22386
DTXSID
DTXSID3052721
ChEMBL
CHEMBL45065
ChEBI
CHEBI:77518
UNII
04G7050365
EC Number
227-907-6、256-810-1
Nikkaji
J9.802G

物性

構造計算による物性

XLogP
1.2
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
2
重原子数
6

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Alcohols (<C12)
FragrancesFragrance Ingredient (2-Pentanol) -> IFRA transparency List
LogP · 3 件

1.19

1.25

1.34

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 4 件

0.82 (NIOSH, 2024) - Less dense than water; will float

Relative density (water = 1): 0.8

0.802-0.808

0.82

物理化学的性質

融点
-50 °C · -50 °C
沸点
118 · 118-119 °C (lit.)
比旋光度
13 · 13 º (c=neat)
比重(密度)
0.81 g/mL · 0.81 g/mL at 25 °C (lit.)
蒸気密度
3 · 3 (vs air)
蒸気圧
3.7 · 3.7-41hPa at 20-50℃

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.6% (11 of 1753) of reports.

Warning

H226 (99.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1753 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 4 件

Chemical: 2-Pentanol

Regulation (EC) No 1831/2003 (amended)

2-Pentanol: HSNO Approval: HSR001417 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid
Fire Hazards · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Flammable. Above 33 °C explosive vapour/air mixtures may be formed.

Health HazardsExcerpt from NIOSH Pocket Guide for Isoamyl alcohol (secondary):
Hazards Summary · 1 件

An eye, nose, and throat irritant; [Hawley] An eye and respiratory tract irritant; Narcotic effects; [Merck Index] A skin, eye, nose, and throat irritant; [CAMEO] A skin, eye, nose, and throat irritant; Inhalation of high concentrations can cause CNS depression; [CHEMINFO] A skin and eye irritant; [eChemPortal: ERMA] An irritant; Chronic exposure may cause injury to CNS, kidneys, and lungs; [MSDSonline]

DOT ID and Guide1105 129

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Use powder, alcohol-resistant foam, water spray, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 件

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Seek medical attention if you feel unwell.

Rinse with plenty of water (remove contact lenses if easily possible). Refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Refer immediately for medical attention.

First Aid · 2 件

Excerpt from NIOSH Pocket Guide for Isoamyl alcohol (secondary):

(General first aid procedures)

Safe StorageFireproof. Separated from strong oxidants.
Exposure Control and Personal Protection20.0 [ppm]
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

毒性情報

Target OrgansEyes, skin, respiratory system, central nervous system
Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure Routes · 2 件

The substance can be absorbed into the body by inhalation and by ingestion.

inhalation, ingestion, skin and/or eye contact

Signs and Symptoms · 5 件

Cough. Sore throat. Headache. Nausea. Dizziness. Drowsiness. Unconsciousness.

Redness.

Redness. Pain. Temporary loss of vision.

Abdominal pain. Burning sensation in the throat and chest. Further see Inhalation.

irritation eyes, skin, nose, throat; headache, dizziness; cough, dyspnea (breathing difficulty), nausea, vomiting, diarrhea; skin cracking; In Animals: narcosis

安全データ

wgk
2
rtecs
SA4900000
ridadr
UN 1105 3/PG 3
hs_code
29051990
risk_code
10-36/37/38-66-37-20
化審法
(2)-217

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Uses · 2 件

Used as solvent for paints and lacquers and to make drugs; [Hawley] Used to make catalyst systems and methanol; Also used as a solvent for primers and for extracting 2-hydroxy-4-methylthiobutyric acid; [CHEMINFO]

Painting (Solvents) [Category: Paint]

Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2-Pentanol: ACTIVE

応用分野

使用(S)-(+)-2-Pentanol is a building block used in the synthesis of highly ptent and selective intranasal toll-like receptor 7 agonists for treating asthma.

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]
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阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

関連反応

127 件

関連ノート

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