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1-Octacosanol

HCID 68406
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
557-61-9
표준 SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIKey
CNNRPFQICPFDPO-UHFFFAOYSA-N
분자식
C28H58O
평균 분자량
410.8 g/mol
단동위원소 질량
410.44876647

개요

1-octacosanol is a white crystalline powder. (NTP, 1992)

이름 및 식별자

우선 이름
1-Octacosanol
IUPAC
octacosan-1-ol
영어명
1-Octacosanol
분자식
C28H58O
분자량
410.76

이름 및 동의어

1-OctacosanolOctacosanolOctacosan-1-ol557-61-9Montanyl alcoholCluytyl alcoholOctacosyl alcoholn-OctacosanolOctanosoloctacosyl81I2215OVKNSC-10770
이름 더 보기
PolicosanolNSC 10770NSC 57768Octacosanoctacosanol
DTXSID1025803CHEBI:28243NSC10770RefChem:25872DTXCID305803DTXSID901019021209-181-2OCTACOSANOL-1

데이터베이스 식별자

CAS
557-61-9
PubChem CID
68406
DTXSID
DTXSID1025803
ChEMBL
CHEMBL1951714
ChEBI
CHEBI:28243
UNII
81I2215OVK
EC Number
209-181-2
Nikkaji
J10.708E

물성

구조 계산 물성

XLogP
13.8
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
26
무거운 원자 수
29
형식 전하
0
복잡도
263

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Antilipidemics

Pharmaceuticals -> Listed in ZINC15

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
PolymersOther Classes -> Alcohols and Polyols, Other
Solubilityless than 1 mg/mL at 70.7 °F (NTP, 1992)
Boiling Point392 to 482 °F at 1 mmHg (sublimes) (NTP, 1992)
Melting Point · 2건

181.9 °F (NTP, 1992)

83.2 - 83.4 °C

Physical Description · 3건

1-octacosanol is a white crystalline powder. (NTP, 1992)

White solid; [CAMEO] White powder; [Aldrich MSDS]

Solid

물리화학적 성질

녹는점
81 · 81-83°C
끓는 점
200 · 200-250°C
밀도
0.8681 · 0.8681 (rough estimate)
굴절률
1.4559 · 1.4559 (estimate)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 1-Octacosanol

1-Octacosanol: 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.

Other Safety InformationIMAP assessments - 1-Octacosanol: Human health tier I assessment
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: This chemical may cause irritation.
Hazards Summary · 1건

Aliphatic alcohols are metabolized and eliminated efficiently; Not skin sensitizers; May have low-grade liver effects; CNS depression seen in shorter chain alcohols, e.g., 1-hexanol and 1-octanol; [Reference #1] May cause irritation; [Aldrich MSDS]

Reactive GroupAlcohols and Polyols
Reactivity Profile · 1건

1-OCTACOSANOL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

UsesFound in vegetable waxes; [Merck Index]
General Manufacturing Information1-Octacosanol: ACTIVE
응용 분야 · 3건

출처Octacosanol is developed from wheat germ, sugar cane, or vegetable waxes.

용도A 28-carbon primary fatty alcohol commonly found in the epicuticular waxes of plants. It has shown protective effects against parkonsonism and due to its excellent tolerability and non-toxicity, octacosanol may be a promising agent for PD treatment.

일반 설명White crystalline powder.

상·하류 제품 정보

상류 원료

10-Octacosen-1-ol메틸알콜수소

하류 제품

1-트리아콘타놀

공급사101 곳

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

관련 반응

1건
반응 기록 만들기
HRID 1434896 반응식
HRID 1434896반응물로uspto-grants-2009_11

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
저장 조건
2 · 2-8°C
용해도
아세토니트릴(약간 용해됨, 가열됨), 벤젠(약간 용해됨, 가열됨), 클로로포름(약간 용해됨, 가열됨)
산도 계수 (pKa)
15.2 · 15.20±0.10(Predicted)
물리적 상태
결정질 분말 또는 박편 결정
색상
하얀색
수용성
21.5 · 21.5&C에서 <0.1g/100mL
Merck
14 · 14,6744
안정성
안정적인. 감광성. 강한 산화제와 호환되지 않습니다.
InChI
1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3
InChIKey
CNNRPFQICPFDPO-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
LogP
13.066 · 13.066 (est)
NIST
Octacosanol(557-61-9)
EPA
1 · 1-Octacosanol (557-61-9)

화학적 성질

white crystals or powder

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (20%)

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

wgk
-
tsca
TSCA listed
HS 번호
29051990
risk_code
20/21/22-36/37/38
hazard_code
Xn
safety_code
22-24/25-37/39-26
기존화학 물질
KE-26279
스토리지 클래스
11 - Combustible Solids
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추가 설명

정의ChEBI: A long-chain primary fatty alcohol that is octacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group.