Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)C(=O)OC(=O)C(C)(C)C
- InChIKey
- PGZVFRAEAAXREB-UHFFFAOYSA-N
- 分子式
- C10H18O3
- 平均分子量
- 186.25 g/mol
- 单同位素质量
- 186.12559443
COMPUTED
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 43.4 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 4
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 191
PROPERTIES
实验与物化性质
Density
0.918 @25 °C
Boiling Point
193 °C @760 [mm Hg]
Physical Description
Clear colorless liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index
1053
GHS
GHS分类
GHS Classification
Danger
H226 (27.5%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (69.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (30.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (69.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (69.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (69.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (69.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 153 reports by companies from 8 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: Propanoic acid, 2,2-dimethyl-, anhydride
Status: Active Update: 20-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19613
Pivalic anhydride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS] See ACID ANHYDRIDES.
Hazard Classes and Categories
Flam. Liq. 3 (27.5%)；Acute Tox. 4 (69.3%)；Skin Corr. 1B (30.7%)；Skin Irrit. 2 (69.3%)；Skin Sens. 1 (69.3%)；Eye Irrit. 2 (69.3%)；STOT SE 3 (69.3%)
SAFETY
安全与防护
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
TOXICITY
毒理信息
Adverse Effects
Dermatotoxin - Skin burns.
REGULATORY
法规信息
Regulatory Information
Chemical: Propanoic acid, 2,2-dimethyl-, anhydride
Status: Active Update: 20-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19613
Pivalic anhydride: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
General Manufacturing Information
Propanoic acid, 2,2-dimethyl-, 1,1'-anhydride: ACTIVE
ALIASES
名称与别名
Trimethylacetic anhydridePivalic anhydride1538-75-6DTXSID601014577RefChem:899797DTXCID00818566216-263-12,2-dimethylpropanoyl 2,2-dimethylpropanoate2,2-Dimethylpropionic anhydridePropanoic acid, 2,2-dimethyl-, anhydride2,2-Dimethylpropanoic anhydrideMFCD00008842Trimethylacetic Anhydride1538-75-6pivalic acid anhydridePivalicanhydridePivalic anydrideEINECS 216-263-1Piv2OAdefovir Impurity 34SCHEMBL65267
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06306865B1
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uspto-grants-1979_03 · 10.6084/m9.figshare.5104873.v1 · US04146630
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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uspto-grants-1986_07 · 10.6084/m9.figshare.5104873.v1 · US04603013
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