7-Octyn-1-ol 分子结构式
HCID70100

7-Octyn-1-ol

oct-7-yn-1-ol

C8H14O126.2 g/molCAS 871-91-0

IDENTITY

结构与身份

标准SMILES
C#CCCCCCCO
InChIKey
ATCNYMVVGBLQMQ-UHFFFAOYSA-N
分子式
C8H14O
平均分子量
126.2 g/mol
单同位素质量
126.10446507

COMPUTED

结构计算性质

已同步
XLogP
1.9
极性表面积
20.2 Ų
氢键供体
1
氢键受体
1
可旋转键
5
重原子
9
形式电荷
0
复杂度
88

GHS

GHS分类

GHS Classification

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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

Hazard Classes and Categories

Acute Tox. 4 (50%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (50%)

USES

用途与制造

General Manufacturing Information

7-Octyn-1-ol: ACTIVE

ALIASES

名称与别名

共 26 条
7-Octyn-1-ol871-91-0DTXSID6061234RefChem:106495DTXCID4048567844-109-9oct-7-yn-1-ol8-hydroxy-1-octyneMFCD016321377-octyne-1-ol7-Octyn-1-ol, AldrichCPRSCHEMBL130670SCHEMBL130671SCHEMBL3181232AKOS005137929CS-W008554FO32098BP-29666DS-14712PD167318

REACTIONS

相关反应

31
HRID 129265 反应方程式

uspto-grants-1995_11 · 10.6084/m9.figshare.5104873.v1 · US05466710

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HRID 185343 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 398219 反应方程式

uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06610835B1

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HRID 415581 反应方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08088791B2

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HRID 538506 反应方程式

uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08865736B2

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HRID 677204 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID 700428 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID 810699 反应方程式

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

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