基本情報
- 標準SMILES
C=CC(=O)OCCCCCCCC- InChIKey
ANISOHQJBAQUQP-UHFFFAOYSA-N- 分子式
- C11H20O2
- 平均分子量
- 184.27 g/mol
- 単同位体質量
- 184.14632988
名称と識別子
- 優先名称
- Octyl acrylate
- IUPAC
- octyl prop-2-enoate
- 現地名
- アクリル酸オクチル
- 英語名
- N-OCTYL ACRYLATE
- 分子式
- C11H20O2
- 分子量
- 184.28
名称と別名
名称をさらに表示
データベース識別子
- CAS
2499-59-4- PubChem CID
- 17258
- DTXSID
DTXSID8044624- UNII
- EJN94319DN
- EC Number
- 219-696-4
- Nikkaji
- J99.452I
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 9
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 141
実験および物理化学的性質
Kovats Retention Index
1273;1273
1295;1295
1625;1590;1595
物理化学的性質
- 融点
- -58.7 °C · -58.7°C (estimate)
- 沸点
- 57 °C · 57°C 0,5mm
- 比重(密度)
- 0 · 0,876 g/cm3
- 屈折率
- 1.437 · 1.437 (589.3 nm 20℃)
- 闪点
- 178 · 178
- 貯蔵温度
- Amber Vial, Refrigerator, Under inert atmosphere
- 溶解性
- クロロホルム(微量)、メタノール(微量)
- 外見
- 油
- 色
- 無色
- InChI
- 1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3
- InChIKey
- ANISOHQJBAQUQP-UHFFFAOYSA-N
- SMILES
- CCCCCCCCOC(=O)C=C
- CAS データベース
- 2499 · 2499-59-4(CAS DataBase Reference)
- EPAの化学物質情報
- Octyl acrylate (2499-59-4)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 13.3% (31 of 233) of reports.
Warning
H315 (86.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (85.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (85.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (48.1%): Toxic 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, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 233 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 31 of 233 reports by companies.;There are 16 notifications provided by 202 of 233 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.
危険有害性情報
Regulatory Information
Chemical: 2-Propenoic acid, octyl ester;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.
2-Propenoic acid, octyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, octyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
2-Propenoic acid, octyl ester: 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.
Hazard Classes and Categories
Skin Irrit. 2 (86.3%);Eye Irrit. 2 (85.8%);STOT SE 3 (85.4%);Aquatic Chronic 2 (48.1%)
Eye irritation - category 2A;Specific target organ toxicity (single exposure) - category 3;Skin irritation - category 2;Skin sensitisation - category 1;Hazardous to the aquatic environment (chronic) - category 1
法規制情報
Regulatory Information
Chemical: 2-Propenoic acid, octyl ester;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.
2-Propenoic acid, octyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, octyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
2-Propenoic acid, octyl ester: 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.
安全データ
- wgk
- WGK 2
- tsca
- TSCA listed
- ridadr
- UN 3082 9 / PGIII
- hs_code
- 2916120090
- risk_code
- 36/37/38-51/53
- 化審法
- (2)-990
- 消防法
- 危-4-3-III
- hazard_code
- Xi,N
- safety_code
- 26-36/37/39-61-28
- Hazard Classifications
- Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
General Manufacturing Information
Printing and Related Support Activities;Adhesive Manufacturing;Paint and Coating Manufacturing
2-Propenoic acid, octyl ester: ACTIVE
応用分野
使用n-Octyl Acrylate acts as a reagent for the synthesis and properties of poly(n-octyl acrylate) with uniform polystyrene grafts used as compatibilizer for acrylic rubber/polystyrene blends.
サプライヤー50 社
関連反応
関連ノート
読み込み中…