6-Hydroxyhexanoic Acid 分子结构式
HCID14490

6-Hydroxyhexanoic Acid

C6H12O3132.16 g/molCAS 1191-25-9

IDENTITY

结构与身份

标准SMILES
O=C(O)CCCCCO
InChIKey
IWHLYPDWHHPVAA-UHFFFAOYSA-N
分子式
C6H12O3
平均分子量
132.16 g/mol
单同位素质量
132.07864424

COMPUTED

结构计算性质

已同步
XLogP
-0.4
极性表面积
57.5 Ų
氢键供体
2
氢键受体
3
可旋转键
5
重原子
9
形式电荷
0
复杂度
80

PROPERTIES

实验与物化性质

来源:PubChem
Physical Description

Solid

Kovats Retention Index

2540.1

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H228 (14.3%): Flammable solid [Danger Flammable solids];H314 (14.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 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
Hazard Classes and Categories

Skin Irrit. 2 (85.7%);Eye Irrit. 2 (85.7%)

ALIASES

名称与别名

共 54 条
6-Hydroxyhexanoic acid1191-25-9Hexanoic acid, 6-hydroxy-epsilon-Hydroxycaproic acid3Y3OX37NM85-hydroxypentanecarboxylic acidCHEBI:17869DTXSID00152316RefChem:104785DTXCID40748076-HYDROXYCAPROIC ACIDMFCD000465606-hydroxy caproic acid6-hydroxy-hexanoic acid5-carboxypentanolUNII-3Y3OX37NM86-hydroxy-caproic acid6-Hydroxyhexanoic acid #Hexanoic acid,6-hydroxy-6-HYDROCAPROIC ACID

REACTIONS

参与反应

44
HRID 280425 反应方程式

uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04588823

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HRID 380064 反应方程式

uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06300496B1

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HRID 380065 反应方程式

uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06300496B1

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HRID 605444 反应方程式

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07914700B2

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HRID 605445 反应方程式

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07914700B2

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HRID 613818 反应方程式

uspto-grants-1999_12 · 10.6084/m9.figshare.5104873.v1 · US06008418

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HRID 613820 反应方程式

uspto-grants-1999_12 · 10.6084/m9.figshare.5104873.v1 · US06008418

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HRID 799708 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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