기본 정보
- 표준 SMILES
CCCCCCCCCCCCCC[N+](C)(C)[O-]- InChIKey
ONHFWHCMZAJCFB-UHFFFAOYSA-N- 분자식
- C16H35NO
- 평균 분자량
- 257.45 g/mol
- 단동위원소 질량
- 257.27186474
이름 및 식별자
- 우선 이름
- Myristamine oxide
- IUPAC
- N,N-dimethyltetradecan-1-amine oxide
- 현지명
- N,N-다이메틸-1-테트라데킬아민-N-산화물
- 영어명
- Myristyl dimethylamine oxide
- 분자식
- C16H35NO
- 분자량
- 257.46
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
3332-27-2- PubChem CID
- 18739
- DTXSID
DTXSID2029660- ChEMBL
CHEMBL1782221- UNII
- J086PM3RRT
- EC Number
- 222-059-3
- Nikkaji
- J205.417E
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 18.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 168
실험 및 물리화학적 성질
물리화학적 성질
- 밀도
- 0.716 · 0.716[at 20℃]
- 증기압
- 0 Pa · 0Pa at 25℃
- 인화점
- 100 ℃ · >100℃
- 저장 조건
- 15 · 15-25°C
- 용해도
- 2 O: · H2O: 가용성 1%(w/v), 투명, 무색
- 산도 계수 (pKa)
- 4.01 · 4.01[at 20 ℃]
- 물리적 상태
- Solid
- 색상
- White to off-white
- 수소이온지수(pH)
- 5 · 5-9 (1% (w/v) in H2O)
- 수용성
- 409.5 g/L · 409.5g/L at 20℃
- BRN
- 4245192 · 4245192
- 화장품 원료 기능
- 계면활성제 - 하이드로트로프세척제헤어 컨디셔닝계면활성제 - 유화제계면활성제 - 거품 증진제대전방지제계면활성제 - 세정
- 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
- N,N-Dimethylmyristylamine N-oxide (3332-27-2)
- Absorption
- 0.06 at · ≤0.06 at 280nm≤0.08 at 260nm
안전 및 규제
GHS 분류
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.
유해성 정보
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
규제 정보
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
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- risk_code
- 38-41
- hazard_code
- Xi
- safety_code
- 26-39
- 기존화학 물질
- 98-3-970
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 2Eye Dam. 1Skin Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
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
상·하류 제품 정보
상류 원료
공급사50 곳
관련 반응
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