uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732449B2
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IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)CCC(=O)O
- InChIKey
- HMMSZUQCCUWXRA-UHFFFAOYSA-N
- 分子式
- C7H14O2
- 平均分子量
- 130.18 g/mol
- 单同位素质量
- 130.09937969
COMPUTED
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 37.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 3
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 100
GHS
GHS分类
GHS Classification
Danger
H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 4 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
Skin Irrit. 2 (60%)；Eye Dam. 1 (40%)；Eye Irrit. 2 (60%)；STOT SE 3 (60%)
USES
用途与制造
General Manufacturing Information
Pentanoic acid, 4,4-dimethyl-: INACTIVE
ALIASES
名称与别名
4,4-dimethylpentanoic acid1118-47-4Pentanoic acid, 4,4-dimethyl-DTXSID30880579RefChem:507455DTXCID309844827-415-7Neoheptanoic acid4,4-dimethyl valeric acid4,4-dimethyl-pentanoic acidMFCD001016134,4-DIMETHYLVALERIC ACIDNSC-654544,4-DIMETHYLPENTANOICACIDC6-8-Neocarboxylic acidsJN8N5LSU6JNCIOpen2_0029644,4-dimethyl pentanoic acidSCHEMBL120318SCHEMBL277520
REACTIONS
参与反应
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