反应SMILES:CCCCCCCCCC(C)O
HCID15448

(+-)-2-Undecanol

undecan-2-ol

C11H24O172.31 g/molCAS 1653-30-1

IDENTITY

结构与身份

标准SMILES
CCCCCCCCCC(C)O
InChIKey
XMUJIPOFTAHSOK-UHFFFAOYSA-N
分子式
C11H24O
平均分子量
172.31 g/mol
单同位素质量
172.18271539

COMPUTED

结构计算性质

已同步
XLogP
4.5
极性表面积
20.2 Ų
氢键供体
1
氢键受体
1
可旋转键
8
重原子
12
形式电荷
0
复杂度
81

PROPERTIES

实验与物化性质

来源:PubChem
Density

0.828-0.831 (20 °C)

Solubility

0.197 mg/mL at 25 °C

insoluble in water; soluble in alcohol and ether

(in ethanol)

Boiling Point

232.00 to 233.00 °C. @ 760.00 mm Hg

233 °C

Melting Point

-11.00 to -9.00 °C. @ 760.00 mm Hg

Refractive Index

1.437-1.439

Physical Description

Colorless liquid; [MSDSonline]

Liquid

colourless liquid

Kovats Retention Index

1287;1285;1287;1294;1288;1286;1298;1270

1309;1311;1307;1304;1310;1303;1311;1294

1706;1723;1710;1723;1726;1712;1712;1717;1717;1723;1724;1706;1723;1726;1717;1738;1722;1722;1705;1717

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 128 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Chemical: 2-Undecanol

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

Other Safety Information

Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards Summary

An irritant; [MSDSonline] See 1-Undecanol.

Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%);Aquatic Chronic 2 (100%)

TOXICITY

毒理信息

来源:PubChem
Adverse Effects

Neurotoxin - Acute solvent syndrome;Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: 2-Undecanol

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

PHARMACOLOGY

药理信息

来源:PubChem
Cellular Locations

Extracellular;Membrane

USES

用途与制造

来源:PubChem
Use Classification

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information

2-Undecanol: ACTIVE

ALIASES

名称与别名

共 60 条
2-UNDECANOLUndecan-2-ol1653-30-12-Hendecanol2-Hydroxyundecanesec-Undecyl AlcoholFEMA No. 324649PCZ1S7LY(+-)-2-UndecanolDTXSID2058673CHEBI:77930RefChem:483844DTXCID107962216-722-6Methyl nonyl carbinol113666-64-1MFCD00021958Undecylic alcohol, sec-METHYLNONYLCARBINOL(+)-2-Undecanol

REACTIONS

参与反应

6
HRID53485

uspto-grants-1997_04

作为反应物
HRID 53485 方程式

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05620677

查看
HRID308115

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 308115 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看
HRID974747

uspto-grants-1997_03

作为反应物
HRID 974747 方程式

uspto-grants-1997_03 · 10.6084/m9.figshare.5104873.v1 · US05607660

查看
HRID1034386

uspto-grants-1994_05

作为反应物
HRID 1034386 方程式

uspto-grants-1994_05 · 10.6084/m9.figshare.5104873.v1 · US05316755

查看
HRID1728286

uspto-grants-1994_07

作为反应物
HRID 1728286 方程式

uspto-grants-1994_07 · 10.6084/m9.figshare.5104873.v1 · US05326553

查看
HRID1733764

uspto-grants-1996_07

作为反应物
HRID 1733764 方程式

uspto-grants-1996_07 · 10.6084/m9.figshare.5104873.v1 · US05531979

查看