3-Pentanol (HCID 11428)

概要

Pentan-3-ol is a secondary alcohol that is pentane substituted by a hydroxy group at position 3. It is produced by plants and is a component of emitted insect sex pheromones. It has a role as a pheromone, a biomarker, a fuel additive and a plant metabolite. It is a pentanol and a secondary alcohol.

名称と識別子

優先名称: 3-Pentanol
IUPAC: pentan-3-ol

名称と別名

3-PENTANOL584-02-1Pentan-3-olDiethyl carbinolPentanol-33-Pentyl alcohol1-Ethyl-1-propanolNSC 8654MFCD00004574(C2H5)2CHOHX4ELC182I5NSC-8654

名称をさらに表示

3-Pentyl--d5 AlcoholDiethylcarbinolEINECS 209-526-7BRN 1730964UNII-X4ELC182I5AI3-243353-Pentanol, 98%3-PENTANOL [MI]

データベース識別子

CAS: 584-02-1
PubChem CID: 11428
DTXSID: DTXSID8060400
ChEMBL: CHEMBL47100
ChEBI: CHEBI:77519
UNII: X4ELC182I5
EC Number: 209-526-7
Nikkaji: J2.675A

物性

構造計算による物性

XLogP: 1.2
極性表面積: 20.2 Å²
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
形式電荷: 0
複雑度: 23.1

実験および物理化学的性質

Chemical ClassesFlammable agents - 2nd degree

SolventsSolvents -> Alcohols (<C12)

SpringerMaterials PropertiesBoiling point

LogP · 2 件

1.21

DensityRelative density (water = 1): 0.8

Flavoring AgentsEU Flavoring substances

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Chemical: 3-Pentanol

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

3-Pentanol: Does not have an individual approval but may be used under an appropriate group standard

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.)

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Fire HazardsFlammable. Heating will cause rise in pressure with risk of bursting. Above 30 °C explosive vapour/air mixtures may be formed.

Hazards Summary · 1 件

An irritant and narcotic; [Merck Index] A skin, eye, and respiratory tract irritant; ingestion can lead to aspiration into lungs resulting in chemical pneumonitis; May have CNS effects causing unconsciousness; Can be absorbed through skin; [ICSC] An irritant; Harmful by inhalation; [Alfa Aesar MSDS]

EC ClassificationSymbol: Xn; R: 10-20-37/38; S: (1/2)-36/37-46

UN ClassificationUN Hazard Class: 3; UN Pack Group: III

安全と保護具

Fire FightingUse alcohol-resistant foam, powder, 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.

Safe StorageFireproof. Separated from strong oxidants.

Exposure Control and Personal Protection20.0 [ppm]

Spillage Disposal · 1 件

Remove all ignition sources. Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Eye PreventionWear safety spectacles or eye protection in combination with breathing protection.