基本情報
- 標準SMILES
CCCCCCCCCCCCCC[N+](C)(C)[O-]- InChIKey
ONHFWHCMZAJCFB-UHFFFAOYSA-N- 分子式
- C16H35NO
- 平均分子量
- 257.45 g/mol
- 単同位体質量
- 257.27186474
名称と識別子
- 優先名称
- Myristamine oxide
- IUPAC
- N,N-dimethyltetradecan-1-amine oxide
- 現地名
- ジメチルミリスチルアミンN-オキシド
- 英語名
- Myristyl dimethylamine oxide
- 分子式
- C16H35NO
- 分子量
- 257.46
名称と別名
名称をさらに表示
データベース識別子
- CAS
3332-27-2- PubChem CID
- 18739
- DTXSID
DTXSID2029660- ChEMBL
CHEMBL1782221- UNII
- J086PM3RRT
- EC Number
- 222-059-3
- Nikkaji
- J205.417E
物性
構造計算による物性
- XLogP
- 6.4
- 極性表面積
- 18.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 13
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 168
実験および物理化学的性質
物理化学的性質
- 比重(密度)
- 0.716 · 0.716[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 闪点
- 100 ℃ · >100℃
- 貯蔵温度
- 15 · 15-25°C
- 溶解性
- 2 O: · H2O: 可溶1% (w/v)、透明、無色
- 酸解離定数(Pka)
- 4.01 · 4.01[at 20 ℃]
- 外見
- Solid
- 色
- White to off-white
- PH
- 5 · 5-9 (1% (w/v) in H2O)
- 水溶解度
- 409.5 g/L · 409.5g/L at 20℃
- BRN
- 4245192 · 4245192
- 化粧品成分の機能
- 界面活性剤 - ハイドロトロープクレンジングヘアコンディショニング界面活性剤 - 乳化剤界面活性剤 - 泡立ち促進剤帯電防止界面活性剤 - 洗浄
- InChI
- InChI=1S/C16H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)18/h4-16H2,1-3H3
- InChIKey
- ONHFWHCMZAJCFB-UHFFFAOYSA-N
- SMILES
- C([N+]([O-])(C)C)CCCCCCCCCCCCC
- LogP
- 2.7 at · 2.7 at 20℃
- EPAの化学物質情報
- N,N-Dimethylmyristylamine N-oxide (3332-27-2)
- Absorption
- 0.06 at · ≤0.06 at 280nm≤0.08 at 260nm
安全と法規制
GHS分類
GHS Classification
Danger
H302 (78.2%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (95.5%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H400 (92.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (14.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard];H411 (10.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard];H412 (18.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 950 reports by companies from 19 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.
危険有害性情報
Regulatory Information
Chemical: 1-Tetradecanamine, N,N-dimethyl-, N-oxide
1-Tetradecanamine, N,N-dimethyl-, N-oxide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Tetradecanamine, N,N-dimethyl-, N-oxide 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)
Status: Active Update: 20-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14677
1-Tetradecanamine, N,N-dimethyl-, N-oxide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (78.2%);Skin Irrit. 2 (95.5%);Eye Dam. 1 (100%);Aquatic Acute 1 (92.2%);Aquatic Chronic 1 (14.2%);Aquatic Chronic 2 (10.4%);Aquatic Chronic 3 (18.6%)
Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1
法規制情報
Regulatory Information
Chemical: 1-Tetradecanamine, N,N-dimethyl-, N-oxide
1-Tetradecanamine, N,N-dimethyl-, N-oxide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Tetradecanamine, N,N-dimethyl-, N-oxide 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)
Status: Active Update: 20-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14677
1-Tetradecanamine, N,N-dimethyl-, N-oxide: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 2
- tsca
- TSCA listed
- risk_code
- 38-41
- 化審法
- 優先評価化学物質
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 2Eye Dam. 1Skin Irrit. 2
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Cosmetics -> Antistatic; Surfactant; Foam boosting; Hydrotrope; Hair conditioning; Cleansing; Emulsifying
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing;Wholesale and Retail Trade;Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing;All Other Basic Organic Chemical Manufacturing;All Other Chemical Product and Preparation Manufacturing;Not Known or Reasonably Ascertainable
1-Tetradecanamine, N,N-dimethyl-, N-oxide: ACTIVE
応用分野
用途界面活性剤原料
上流・下流製品情報
上流原料
サプライヤー50 社
補足説明
定義本品は、次の化学式で表される第三アミンのオキシドである。
関連反応
関連ノート
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