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스판 80

Sorbitan mono-(9Z)-9-octadecenoate

HCID 9920342
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인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1338-43-8
표준 SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O
InChIKey
NWGKJDSIEKMTRX-AAZCQSIUSA-N
분자식
C24H44O6
평균 분자량
428.6 g/mol
단동위원소 질량
428.31378912

개요

Sorbitan monooleate is a fatty acid ester.

이름 및 식별자

우선 이름
Sorbitan mono-(9Z)-9-octadecenoate
IUPAC
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate
현지명
스판 80
영어명
Span 80
분자식
C24H44O6
분자량
428.6

이름 및 동의어

Sorbitan monooleateArlacel 801338-43-8SORBITAN OLEATESorbitan, mono-(9Z)-9-octadecenoateOleate de sorbitanAnhydrosorbitol monooleateSorbitan mono-oletaeSorbitani oleasGlycomul OSorbitan OSorbitan, mono-9-octadecenoate
이름 더 보기
모노아데히드로소르비톨모노올레산염소르비탄모노올레산에스테르소르비탄올레산염SORBI탄모노올E산모노-9-옥타데케노산염,소르비탄스판80모노아데하이드로소르비톨모노올레산염소르비탄모노올레산염스팬80스판80스판80솔비탄올리에이트SORBI탄모노올E산(SORBITANMONOOLEATE)armotanmoSPAN(R) 80ionets80sorgen40sorbons80glycomuloemsorb2500EmulsifierS80
DTXSID6027397Alkamuls SMOArmotan MODehymuls SMOLonzest SMOKosteran O 1Oleato de sorbitanoCrill 4

데이터베이스 식별자

CAS
1338-43-8、9015-08-1
PubChem CID
9920342
DTXSID
DTXSID6027397
ChEMBL
CHEMBL1894187
ChEBI
CHEBI:183688
UNII
06XEA2VD56
EC Number
215-665-4、618-490-5
Nikkaji
J2.897.208C

물성

구조 계산 물성

XLogP
6
극성 표면적
96.2 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
19
무거운 원자 수
30
형식 전하
0
복잡도
453

실험 및 물리화학적 성질

Chemical ClassesOther Uses -> Emulsifiers/Surfactants
Cosmetics · 2건

Cosmetic ingredients (Sorbitan Oleate) -> CIR (Cosmetic Ingredient Review)

Emulsifying

FragrancesFragrance Ingredient (Sorbitan monooleate) -> IFRA transparency List
Food AdditivesEMULSIFIER OR EMULSIFIER SALT -> FDA Substance added to food
ViscosityABOUT 1000 CENTIPOISES
Color/FormAMBER LIQUID
SolubilitySOL IN MOST MINERAL & VEGETABLE OILS; INSOL IN ACETONE; SLIGHTLY SOL IN ETHER; DISPERSIBLE IN WATER
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description

안전 및 규제

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

GHS 분류

GHS Classification · 4건

This chemical does not meet GHS hazard criteria for 99.8% (1221 of 1224) of all reports.

Not Classified

Aggregated GHS information provided per 1224 reports by companies from 5 notifications to the ECHA C&L Inventory.

Not Classified

유해성 정보

Regulatory Information · 4건

Chemical: Sorbitan, mono-(9Z)-9-octadecenoate

Regulation (EC) No 1333/2008 (amended)

Sorbitan, mono-(9Z)-9-octadecenoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Sorbitan, mono-(9Z)-9-octadecenoate 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)

Sorbitan monooleate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Sorbitan, mono-9-octadecenoate, (Z)-: Human health tier I assessment
Hazards SummaryMay cause irritation; May be harmful if swallowed; [MSDSonline]
Special Reports · 1건

A PROPOSED MONOGRAPH FOR SORBITAN 80 (SORBITAN MONOOLEATE) IS PRESENTED. THE CHARACTERISTICS, METHODS OF IDENTIFICATION, SAPONIFICATION & IODINE VALUES, DENSITY, ASSAY, SOLUBILITY & LD50 ARE GIVEN.[CESCHEL GC ET AL; PROPOSALS FOR THE PHARMACOPEIA; SORBITANS; BOLL CHIM FARM 120(SEP) 552 (1981)]

EPA Safer ChemicalChemical: Sorbitan monooleate
Hazard Classes and Categories · 2건

Not Classified

Not Classified

독성 정보

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.

Absorption, Distribution and ExcretionWHEN DIGESTED, BOTH THE FATTY ACID & THE POLYHYDRIC ALCOHOL SORBITAN ARE ABSORBED, BUT THE LATTER IS COMPLETELY EXCRETED IN URINE. /SORBITAN MONOSTEARATE/

용도 및 제조

Uses · 4건

CIR ingredient: Sorbitan Oleate

A non-ionic surface active agent; Used as emulsifier, stabilizer, and thickener (foods, cosmetics, and medicines), lubricant and softener in textiles, and surfactant for pharmaceuticals; [Merck Index] Used as emulsifier for water-in-oil emulsions; [HSDB] Used for synthesis in chemical industry, refining and processing metals, and in paints, lacquers, and varnishes industry; [IUCLID]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

NONIONIC SURFACTANTS USED AS EMULSIFYING AGENTS IN THE PREPARATION OF WATER-IN-OIL EMULSIONS /SORBITAN ESTERS/

U.S. Production2023: 55,000,000 - <70,000,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesDemulsifier
Methods of ManufacturingWATER-INSOLUBLE NONIONIC SURFACTANTS MADE BY ESTERIFYING WITH DIGESTIBLE FATTY ACIDS VARIOUS PARTIAL ANHYDRIDES OF SORBITOL. /SORBITAN MONOSTEARATE/
Household Products · 2건

Information on 120 consumer products that contain Sorbitan oleate (emulsifier) in the following categories is provided:

Information on 2 consumer products that contain Sorbitan monooleate in the following categories is provided:

관련 반응

6건
반응 기록 만들기
HRID 371780 반응식
HRID 371780반응물로uspto-grants-1978_05
HRID 653553 반응식
HRID 653553생성물로uspto-grants-1987_06
HRID 1066707 반응식
HRID 1066707반응물로uspto-grants-2001_06
HRID 1732834 반응식
HRID 1732834반응물로uspto-grants-1980_12
HRID 1856417 반응식
HRID 1856417반응물로uspto-grants-1980_08
HRID 1980157 반응식
HRID 1980157반응물로uspto-grants-1984_11

화합물 노트

불러오는 중…

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· 2건

CBI; Liquid; Liquid; Other Solid

Yellow to amber liquid; [Merck Index] Clear deep brownish-yellow viscous liquid; [MSDSonline]

Collision Cross Section207.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6027397]

물리화학적 성질

끓는 점
463.43 °C · 463.43°C (rough estimate)
밀도
0.986 g/mL · 0.986 g/mL at 25 °C(lit.)
증기압
1.4 hPa · <1.4 hPa (20 °C)
굴절률
20 · n20/D 1.48(lit.)
인화점
230 °F · >230 °F
저장 조건
30 °C · Store below +30°C.
용해도
실질적으로 불용성이나 물에는 분산 가능하며 지방유에 용해되어 흐릿한 용액을 생성하며 알코올과 섞일 수 있습니다.
물리적 상태
점성 액체
Specific Gravity
0.986 · 0.986
색상
노란색
냄새
100 %에서 · 100.00%에서. 뚱뚱한 기름진 왁스
냄새 유형
지방이 많은
수용성
50 mg/ml의 · 50mg/ml의 에탄올에 용해됩니다. 물, 에탄올, 이소프로판올 및 에테르와 혼합 가능합니다. 아세톤에 불용성.
Merck
13 · 13,8796
BRN
8172514 · 8172514
안정성
안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
주요 응용
미생물학
화장품 원료 기능
계면활성제 - 유화제
InChIKey
MPZLHRXPRGLWEB-AAZCQSIUSA-N
SMILES
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O
LogP
6.014 · 6.014 (est)
EPA
Sorbitan monooleate (1338-43-8)

화학적 성질

Brownish-yellow, viscous liquid.

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
Human Toxicity Excerpts · 2건

...MAN HAS BEEN FED WITH IMPUNITY SINGLE DOSES OF 20 G OR DAILY DOSES OF 6 G FOR 1 MONTH. /SORBITAN MONOSTEARATE/

A MIDDLE AGED MALE DEVELOPED OCCUPATIONALLY RELATED CONTACT ECZEMA TO SORBITAN MONOOLEATE.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Non-Human Toxicity Excerpts · 2건

NO SINGLE ORAL DOSE IS KNOWN TO BE LETHAL IN LABORATORY ANIMALS... /SORBITAN MONOSTEARATE/

GROUPS OF 15 MALE & 15 FEMALE RATS WERE MAINTAINED ON A DIET CONTAINING 0, 2.5, 5 OR 10% SPAN 80 FOR 16 WK WHICH RESULTED IN SIGNIFICANTLY INCR KIDNEY WT, ASSOC IN THE FEMALE GROUPS GIVEN 5 OR 10% WITH TUBULAR CHANGES OF UNCERTAIN PATHOLOGICAL SIGNIFICANCE. LIVER ENLARGEMENT WAS FOUND IN THE MALES & FEMALES ON THE HIGHEST DIETARY LEVEL. IN THE FEMALES THIS EFFECT WAS ASSOC WITH PERIPORTAL FATTY CHANGE. REDUCED WT GAIN WAS OBSERVED IN GROUPS GIVEN 5 OR 10%, BUT THIS WAS DUE LARGELY TO THE UNPALATABILITY OF THE DIET.

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
WG2932400
독성
LD50 orally in Rabbit: > 39800 mg/kg
HS 번호
34021300
safety_code
24/25
기존화학 물질
KE-31689
스토리지 클래스
10 - Combustible liquids
유해 물질 데이터
1338-43-8(Hazardous Substances Data)
Use Classification · 5건

EPA Safer Chemical Functional Use Classes -> Surfactants

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Fragrance Ingredients

Food Additives -> EMULSIFIER; STABILIZER -> JECFA Functional Classes

Cosmetics -> Emulsifying

General Manufacturing Information · 4건

Paint and Coating Manufacturing

Sorbitan, mono-(9Z)-9-octadecenoate: ACTIVE

HYDROPHILIC CHARACTER /OF SPAN/ IS SUPPLIED BY FREE HYDROXYL & OXYETHYLENE GROUPS...LIPOPHIL PORTION IS FOUND IN THE LONG CHAIN FATTY ACIDS USED. THE SPAN TYPE MATERIALS ARE PARTIAL ESTERS OF COMMON FATTY ACIDS (LAURIC, PALMITIC, STEARIC & OLEIC) & HEXITOL ANHYDRIDES (LEXITANS & HEXIDES) DERIVED FROM SORBITOL. /SPAN/

ADDED IN SMALL QUANTITIES TO MANY FOODS, BEVERAGES, COSMETICS /SORBITAN MONOSTEARATE/

응용 분야 · 2건

개요Span 80, also known as sorbitan monooleate, is a nonionic surfactant and emulsifier. It belongs to the family of sorbitan esters. This ingredient is produced by esterifying sorbitan with oleic acid, a fatty acid in many vegetable oils. Span 80 emulsifier presents as a light yellow, viscous, oily liquid. Its solubility characteristics include insolubility in water and solubility in organic solvents. Span 80 is an emulsifier, stabilizer, and dispersant used in the food, pharmaceutical, and cosmetics industries.

용도Span 80 is a low HLB surfactant suggested for use as a w/o emulsifier or as an o/w emulsifier for use in cosmetic formulations, oil field chemicals, plastics, household products, coatings and textiles.

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