uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737161B2
查看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
- 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
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
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
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
Fire Fighting Procedures
CARBON DIOXIDE, DRY CHEMICAL
WATER SOLUBLE: NO; "ALCOHOL" FOAM. WATER OR FOAM MAY CAUSE FROTHING.
TOXICITY
毒理信息
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
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
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
REACTIONS
参与反应
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