2-戊醇

2-Pentanol

HCID 22386CAS 26184-62-3

基本信息

标准SMILES
CCCC(C)O
InChIKey
JYVLIDXNZAXMDK-UHFFFAOYSA-N
分子式
C5H12O
平均分子量
88.15 g/mol
单同位素质量
88.088815

概述

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.

名称与标识

首选名称
2-Pentanol
IUPAC
pentan-2-ol
中文名
(S)-(+)-2-戊醇
英文名
(S)-(+)-2-Pentanol
分子式
C5H12O
分子量
88.15

名称与别名

2-PENTANOLPentan-2-ol6032-29-7sec-Amyl alcoholMethylpropylcarbinolsec-Pentyl alcohol2-Pentyl alcohol1-Methyl-1-butanolMethyl propyl carbinol2-HydroxypentanePentanol-2alpha-Methylbutanol
展开更多名称
二級戊醇(S)-戊烷-2-醇(S)-(+)-2-戊醇(S)-(+)-2-戊醇,97%(S)-(+)-2-戊醇,二級戊醇(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

数据库标识

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

性质

结构计算性质

XLogP
1.2
极性表面积
20.2 Ų
氢键供体
1
氢键受体
1
可旋转键
2
重原子
6

实验与物化性质

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

1.19

1.25

1.34

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

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

Relative density (water = 1): 0.8

0.802-0.808

0.82

物理化学性质

熔点
-50 °C · -50 °C
比旋光度
13 · 13 º (c=neat)
沸点
118 · 118-119 °C (lit.)
密度
0.81 g/mL · 0.81 g/mL at 25 °C (lit.)
蒸气密度
3 · 3 (vs air)
蒸气压
3.7 · 3.7-41hPa at 20-50℃

安全与法规

GHS分类

GHS Classification · 6 条

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

危害信息

Regulatory Information · 4 条

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 条

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 条

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

安全与防护

Fire Fighting · 2 条

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 条

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 条

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)]:

毒理信息

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

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

inhalation, ingestion, skin and/or eye contact

Signs and Symptoms · 5 条

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

安全数据

wgk
2
RTECS号
SA4900000
包装类别
III
危险等级
3
存储类别
3 - Flammable liquids
安全说明
46-26-16-24/25

化学与工业

药理信息

Cellular LocationsCytoplasm

用途与制造

Uses · 2 条

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 条

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

试剂价格

P0743 · 1ML
(S)-(+)-2-戊醇(S)-(+)-2-Pentanol — 420元
P0743 · 5ML
(S)-(+)-2-戊醇(S)-(+)-2-Pentanol — 1490元

供应商50 家

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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]

相关反应

127 条

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