2-(Benzyloxy) ethanol 分子结构式
HCID12141

2-(Benzyloxy) ethanol

2-phenylmethoxyethanol

C9H12O2152.19 g/molCAS 622-08-2

IDENTITY

结构与身份

标准SMILES
OCCOCc1ccccc1
InChIKey
CUZKCNWZBXLAJX-UHFFFAOYSA-N
分子式
C9H12O2
平均分子量
152.19 g/mol
单同位素质量
152.08372962

COMPUTED

结构计算性质

已同步
XLogP
0.9
极性表面积
29.5 Ų
氢键供体
1
氢键受体
2
可旋转键
4
重原子
11
形式电荷
0
复杂度
87

PROPERTIES

实验与物化性质

来源:PubChem
Odor

FAINT, ROSE-LIKE ODOR

Density

1.0640 @ 20 °C/4 °C

Color/Form

WATER WHITE LIQUID

Solubility

SOL IN WATER, ALCOHOL, ETHER

Flash Point

265 °F OC

Boiling Point

256 °C @ 760 MM HG

Melting Point

LESS THAN -75 °C

Vapor Density

5.25 (AIR= 1)

Vapor Pressure

0.02 [mmHg]

Refractive Index

INDEX OF REFRACTION: 1.5233 @ 20 °C/D

Physical Description

Liquid with a faint, rose-like odor; Soluble in water; [HSDB] Colorless liquid; [MSDSonline]

Kovats Retention Index

1252.6;1275

2129

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.6%): 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 42 reports by companies from 5 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: Ethanol, 2-(phenylmethoxy)-

Status: Active Update: 31-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31596

Ethanol, 2-(phenylmethoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety Information

IMAP assessments - Ethanol, 2-(phenylmethoxy)-: Human health tier I assessment

Hazards Summary

In oral lethal dose studies of rats, effects include general anesthesia and kidney changes; [RTECS] Toxic by ingestion; [Hawley] An irritant; [MSDSonline] See GLYCOL ETHERS.

NFPA Hazard Classification

2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.

1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.

0 - Materials that in themselves are normally stable, even under fire conditions.

Hazard Classes and Categories

Acute Tox. 4 (100%);Skin Irrit. 2 (97.6%);Eye Irrit. 2 (97.6%);STOT SE 3 (97.6%)

Acute toxicity (Oral) - Category 4;Serious eye damage/eye irritation - Category 1

SAFETY

安全与防护

来源:PubChem
Fire Fighting Procedures

CARBON DIOXIDE, DRY CHEMICAL

WATER SOLUBLE: NO; "ALCOHOL" FOAM. WATER OR FOAM MAY CAUSE FROTHING.

TOXICITY

毒理信息

来源:PubChem
Adverse Effects

Neurotoxin - Acute solvent syndrome

Human Toxicity Excerpts

SEE GLYCOLS. MOST OF GLYCOLS HAVE LOW VOLATILITY AND CONSEQUENTLY PRESENT LITTLE DANGER FROM INHALATION OF VAPORS...THERE IS SOME EVIDENCE THAT GLYCOL ETHERS ARE MORE TOXIC THAN OTHER MEMBERS OF GROUP. /GLYCOLS/

MODERATELY TOXIC BY INGESTION.

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: Ethanol, 2-(phenylmethoxy)-

Status: Active Update: 31-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31596

Ethanol, 2-(phenylmethoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

USES

用途与制造

来源:PubChem
Uses

Used as a laboratory reagent, solvent (cellulose acetate, lacquers, dyes, inks, and resins), perfume fixative, and intermediate; Also used in coatings for leather, paper, and cloth; [HSDB]

Pulp and Paper Processing [Category: Industry];Painting (Solvents) [Category: Paint];Leather Tanning and Processing [Category: Industry];Textiles (Printing, Dyeing, or Finishing) [Category: Industry]

LABORATORY REAGENT

SOLVENT FOR CELLULOSE ACETATE, DYES, INKS, RESINS; PERFUME FIXATIVE

ORGANIC SYNTHESIS (SELECTIVE HYDROXYETHYLATING AGENT); COATING COMPOSITIONS FOR LEATHER, PAPER, & CLOTH; LACQUERS

General Manufacturing Information

Ethanol, 2-(phenylmethoxy)-: ACTIVE

ALIASES

名称与别名

共 90 条
2-(Benzyloxy)ethanol622-08-22-BenzyloxyethanolEthylene glycol monobenzyl etherEthanol, 2-(phenylmethoxy)-Benzyl Glycol1-O-Benzylethanediol2-(BENZYLOXY) ETHANOL2-benzyloxyethyl alcoholHSDB 2104EINECS 210-719-3BRN 2043566AI3-01040UNII-06S8147L47NSC-8886DTXSID3060744BENZYL 2-HYDROXYETHYL ETHER4-06-00-02241 (Beilstein Handbook Reference)ETHYLENE GLYCOL BENZYL ETHER2-(BENZYLOXY) ETHANOL [HSDB]

REACTIONS

参与反应

130
HRID 16694 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737161B2

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HRID 93914 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 111210 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 111946 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 116745 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 129044 反应方程式

uspto-grants-1995_11 · 10.6084/m9.figshare.5104873.v1 · US05466701

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HRID 146575 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 148349 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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