uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06927228B2
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IDENTITY
结构与身份
- 标准SMILES
- CCCCCCC(CCCC)C(=O)O
- InChIKey
- OARDBPIZDHVTCK-UHFFFAOYSA-N
- 分子式
- C12H24O2
- 平均分子量
- 200.32 g/mol
- 单同位素质量
- 200.17763
COMPUTED
结构计算性质
- XLogP
- 4.3
- 极性表面积
- 37.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 9
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 143
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 5.5% (3 of 55) of reports.
Warning
H315 (70.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (70.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (70.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (23.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, 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 55 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 55 reports by companies.；There are 3 notifications provided by 52 of 55 reports by companies with hazard statement code(s).；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: Octanoic acid, 2-butyl-；Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 30-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20154
Octanoic acid, 2-butyl-: 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
Assessment (Certificate) - Octanoic acid, 2-butyl-: Health and Environment
Hazard Classes and Categories
Skin Irrit. 2 (70.9%)；Eye Irrit. 2 (70.9%)；STOT SE 3 (70.9%)；Aquatic Chronic 3 (23.6%)
REGULATORY
法规信息
Regulatory Information
Chemical: Octanoic acid, 2-butyl-；Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 30-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20154
Octanoic acid, 2-butyl-: 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
Use Classification
Cosmetics -> Surfactant; Cleansing; Emulsifying
General Manufacturing Information
Octanoic acid, 2-butyl-: ACTIVE
ALIASES
名称与别名
2-Butyloctanoic acidOCTANOIC ACID, 2-BUTYL-butyloctanoic acidEINECS 248-570-1BRN 1765736UNII-89379760R4ISOCARB 12 ACID4-02-00-01112 (Beilstein Handbook Reference)JARIC I-1289379760R4DTXSID40884907.ALPHA.-BUTYLCAPRYLIC ACIDRefChem:86048ALPHA-BUTYLCAPRYLIC ACIDBUTYLOCTANOIC ACID [INCI]DTXCID201024326(+-)-2-BUTYLOCTANOIC ACID2-BUTYLOCTANOIC ACID, (+-)-OARDBPIZDHVTCK-UHFFFAOYSA-N27610-92-0
REACTIONS
