세틸포스페이트

Hexadecyl phosphate

HCID 19059CAS 3539-43-3

기본 정보

표준 SMILES: CCCCCCCCCCCCCCCCOP(=O)(O)O
InChIKey: ZUVCYFMOHFTGDM-UHFFFAOYSA-N
분자식: C16H35O4P
평균 분자량: 322.42 g/mol
단동위원소 질량: 322.22729623

개요

The CIR Expert Panel concluded the following 28 alkyl phosphates are safe in the present practices of use and concentration in cosmetics when formulated to be non-irritating...Cetyl Phosphate...

이름 및 식별자

우선 이름: Hexadecyl phosphate
IUPAC: hexadecyl dihydrogen phosphate
현지명: 세틸포스페이트
영어명: AMPHISOL A
분자식: C16H35O4P
분자량: 322.42

이름 및 동의어

Hexadecyl dihydrogen phosphate3539-43-3Hexadecyl phosphateCETYL PHOSPHATE1-Hexadecanol, dihydrogen phosphateHostaphat CC 100VT07D6X67OMACKESTER CEPCRODAFOS MCADTXSID1045039RefChem:786052DTXCID9025039

이름 더 보기

세틸포스페이트암피솔ACetyl Phosphate (AMPHISOL A)cetylphosphatehexadecylphosphatecethylphosphoric esterMONO-N-HEXADECYLPHOSPHATEHexadecyldihydrogenphosphatZUVCYFMOHFTGDM-UHFFFAOYSA-NPHOSPHORICMONOHEXADECYL ESTER

222-581-1AMPHISOL Amonocetyl phosphate1-Hexadecanol,1-(dihydrogen phosphate)cetyl dihydrogen phosphateUNII-VT07D6X67OPhosphoric acid monohexadecyl esterEINECS 222-581-1

데이터베이스 식별자

CAS: 3539-43-3
PubChem CID: 19059
DTXSID: DTXSID1045039
ChEMBL: CHEMBL479322
UNII: VT07D6X67O
EC Number: 222-581-1
Nikkaji: J216.184B

물성

구조 계산 물성

XLogP: 6.2
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 16
무거운 원자 수: 21
형식 전하: 0
복잡도: 253

실험 및 물리화학적 성질

Cosmetics · 2건

Cosmetic ingredients (Cetyl Phosphate) -> CIR (Cosmetic Ingredient Review)

Emulsifying

Physical DescriptionDry Powder; Liquid

물리화학적 성질

녹는점: 71 °C · 71 °C
끓는 점: 439.8 · 439.8±28.0 °C(Predicted)
밀도: 1.013 · 1.013±0.06 g/cm3(Predicted)
증기압: 0.146 Pa · 0.146Pa at 25℃
산도 계수 (pKa): 1.95 · 1.95±0.10(Predicted)
냄새: 100 · 100.00?%. 온화한
수용성: 1 mg/L · 1mg/L at 25℃
화장품 원료 기능: 계면활성제 - 세정계면활성제 - 유화제
InChI: InChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)
InChIKey: ZUVCYFMOHFTGDM-UHFFFAOYSA-N
SMILES: C(OP(O)(O)=O)CCCCCCCCCCCCCCC
LogP: 6.65 at · 6.65 at 25℃
EPA: 1 · 1-Hexadecanol, dihydrogen phosphate (3539-43-3)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 14.6% (6 of 41) of reports.

Danger

H315 (70.7%): Causes skin irritation [Warning Skin corrosion/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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 5건

Chemical: 1-Hexadecanol, dihydrogen phosphate

1-Hexadecanol, 1-(dihydrogen phosphate) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexadecanol, 1-(dihydrogen phosphate) 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 29-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/29649

1-Hexadecanol, dihydrogen phosphate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (70.7%)

독성 정보

Toxicity Summary · 2건

The CIR Expert Panel concluded the following 28 alkyl phosphates are safe in the present practices of use and concentration in cosmetics when formulated to be non-irritating...Cetyl Phosphate...

Safe for use in cosmetics, with qualifications