기본 정보
- CAS
7128-91-8- 표준 SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)[O-]- InChIKey
IBOBFGGLRNWLIL-UHFFFAOYSA-N- 분자식
- C18H39NO
- 평균 분자량
- 285.5 g/mol
- 단동위원소 질량
- 285.30316487
이름 및 식별자
- 우선 이름
- Cetamine Oxide
- IUPAC
- N,N-dimethylhexadecan-1-amine oxide
- 현지명
- 헥사데실(다이메틸)아민 산화물
- 영어명
- hexadecyldimethylamine N-oxide
- 분자식
- C18H39NO
- 분자량
- 285.51
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
7128-91-8- PubChem CID
- 3032528
- DTXSID
DTXSID2051471- UNII
- 9DJ9RBA18Z
- EC Number
- 230-429-0
- Nikkaji
- J227.386A
물성
구조 계산 물성
- XLogP
- 7.5
- 극성 표면적
- 18.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 192
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 98 · 98 - 119°C
- 저장 조건
- -86 °C · -86°C Freezer, Under inert atmosphere
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 4.79 · 4.79±0.40(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 화장품 원료 기능
- 대전방지제헤어 컨디셔닝계면활성제 - 거품 증진제계면활성제 - 세정세척제계면활성제 - 하이드로트로프
- LogP
- 5.126 · 5.126 (est)
- EPA
- N,N-Dimethylhexadecylamine N-oxide (7128-91-8)
화학적 성질
Viscous Liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (98.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 466 reports by companies from 3 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.
유해성 정보
Regulatory Information
Chemical: 1-Hexadecanamine, N,N-dimethyl-, N-oxide
1-Hexadecanamine, N,N-dimethyl-, N-oxide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexadecanamine, 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)
1-Hexadecanamine, N,N-dimethyl-, N-oxide: 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.
Hazards Summary
Amine oxides demonstrate moderate to severe eye irritation at concentrations of approximately 30%; No evidence of skin sensitization in humans or experimental animals; Moderate to low acute dermal and oral toxicity; No evidence of reproductive or developmental toxicity, teratogenicity, or carcinogenicity; [OECD SIDS]
Hazard Classes and Categories
Skin Irrit. 2 (100%);Eye Dam. 1 (98.5%)
Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1
규제 정보
Regulatory Information
Chemical: 1-Hexadecanamine, N,N-dimethyl-, N-oxide
1-Hexadecanamine, N,N-dimethyl-, N-oxide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexadecanamine, 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)
1-Hexadecanamine, N,N-dimethyl-, N-oxide: 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.
안전 데이터
- tsca
- TSCA listed
- ridadr
- 2735
- 포장분류
- III
- 위험 등급
- 8
화학 및 산업
용도 및 제조
Uses
Permitted for use as an inert ingredient in non-food pesticide products; [EPA] Amine oxides (AOs) are usually produced, transported, and used as aqueous solutions of 25-35% concentration; Amine oxides are surfactants used in consumer cleaning and personal care products at concentrations of 0.1-10% active ingredient; [OECD SIDS]
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 -> Surfactant; Antistatic; Hair conditioning; Foam boosting; Hydrotrope; Cleansing
General Manufacturing Information
Not Known or Reasonably Ascertainable;All Other Chemical Product and Preparation Manufacturing;All Other Basic Organic Chemical Manufacturing;Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing;Wholesale and Retail Trade
1-Hexadecanamine, N,N-dimethyl-, N-oxide: ACTIVE
응용 분야
용도hexadecyldimethylamine N-oxide is used as foam stabilizer for cleaning products. Barlox(R) 16S can impart multifunctional attributes to a single formulation. This surfactant can provide thickening, foam boosting and detergency in a formulation.
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