1,2-헥사데칸디올

1,2-Hexadecanediol

HCID 98037CAS 6920-24-7

기본 정보

표준 SMILES: CCCCCCCCCCCCCCC(O)CO
InChIKey: BTOOAFQCTJZDRC-UHFFFAOYSA-N
분자식: C16H34O2
평균 분자량: 258.44 g/mol
단동위원소 질량: 258.25588033

개요

1,2-hexadecanediol is a glycol that is hexadecane which is substituted by hydroxy groups at positions 1 and 2. It derives from a hydride of a hexadecane.

이름 및 식별자

우선 이름: 1,2-Hexadecanediol
IUPAC: hexadecane-1,2-diol
현지명: 1,2-헥사데칸디올
영어명: 1,2-Hexadecanediol
분자식: C16H34O2
분자량: 258.44

이름 및 동의어

1,2-Hexadecanediol6920-24-7Cetyl glycol1H07JK4G0CNSC-71525CHEBI:75586DTXSID60884343RefChem:72092DTXCID801023790230-030-1Hexadecane-1,2-diol1,2-Dihydroxyhexadecane

이름 더 보기

1,2-헥사데칸디올세틸글라이콜Hexadecan-1,2-diol1,2-Hexadecanediol>2-Hydroxycetyl alcohol1,2-Hexadecylene glycol1,2-Hexadecanediol ,90%

MFCD00004727UNII-1H07JK4G0CEINECS 230-030-1NSC 71525AI3-14193NSC715251,2-palmityl diol1,2-hexadecyl diol

데이터베이스 식별자

CAS: 6920-24-7
PubChem CID: 98037
DTXSID: DTXSID60884343
ChEBI: CHEBI:75586
UNII: 1H07JK4G0C
EC Number: 230-030-1
Nikkaji: J265.955G

물성

구조 계산 물성

XLogP: 6.1
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 14
무거운 원자 수: 18
형식 전하: 0
복잡도: 148

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Organic Compounds

Cosmetics · 2건

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

Hair conditioning; Emollient

Physical DescriptionWhite solid; Slightly soluble in water; [MSDSonline]

물리화학적 성질

녹는점: 68 · 68-72 °C (lit.)
끓는 점: 310.3 °C · 310.3°C (rough estimate)
밀도: 0.8878 · 0.8878 (rough estimate)
굴절률: 1.4731 · 1.4731 (estimate)
인화점: 183 °C · 183 °C
저장 조건: 2 · Storage temp. 2-8°C
용해도: 0.1 · Ethanol: Slightly soluble: 0.1-1 mg/ml
산도 계수 (pKa): 14.45 · 14.45±0.20(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 1722206 · 1722206
안정성: 안정적인. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능: 점도 조절헤어 컨디셔닝피부 컨디셔닝 - 보습제피부 컨디셔닝
InChI: InChI=1S/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16-18H,2-15H2,1H3
InChIKey: BTOOAFQCTJZDRC-UHFFFAOYSA-N
SMILES: C(O)C(O)CCCCCCCCCCCCCC
LogP: 5.615 · 5.615 (est)
EPA: 1 · 1,2-Hexadecanediol (6920-24-7)

화학적 성질

beige powder

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Regulatory Information · 3건

Chemical: 1,2-Hexadecanediol

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

1,2-hexadecane diol: 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 SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesNot Classified

독성 정보

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

안전 데이터

wgk: 1
tsca: TSCA listed
HS 번호: 29053990
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesCIR ingredient: Cetyl Glycol

Use ClassificationCosmetics -> Hair conditioning; Emollient

General Manufacturing Information1,2-Hexadecanediol: ACTIVE

응용 분야 · 1건

용도1,2-Hexadecanediol was used as reducing agent in the preparation of silver nanocrystals from a dichlorobenzene solution containing oleyl amine as a surfactant. It was also used in the preparation of:Au-Fe3O4 hetero-dimersiron pyrite nanocrystalsmonodisperse iron platinum nanoparticles

상·하류 제품 정보

상류 원료

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

추가 설명

정의ChEBI: A glycol that is hexadecane which is substituted by hydroxy groups at positions 1 and 2.

연결된 노트

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