기본 정보
- CAS
1117-86-8- 표준 SMILES
CCCCCCC(O)CO- InChIKey
AEIJTFQOBWATKX-UHFFFAOYSA-N- 분자식
- C8H18O2
- 평균 분자량
- 146.23 g/mol
- 단동위원소 질량
- 146.13067982
개요
Octane-1,2-diol is an octanediol.
이름 및 식별자
- 우선 이름
- 1,2-Octanediol
- IUPAC
- octane-1,2-diol
- 현지명
- 카프릴릴글라이콜
- 영어명
- 1,2-Octanediol
- 분자식
- C8H18O2
- 분자량
- 146.23
이름 및 동의어
1,2-OCTANEDIOLoctane-1,2-diol1117-86-81,2-Dihydroxyoctanecaprylyl glycol1,2-Octylene glycolLexGard ODTXSID9036646JEECIDE CAPORISTAR CPG00YIU5438UNSC-71546
이름 더 보기
카프릴릴글라이콜R,S-Octane-1,2-dioloctane-1,1,2-OctandiolOctan-1,2-diol1,2-OCLanediol1,2-0ctanediol
DTXCID7016646CHEBI:34056RefChem:72113214-254-7MFCD00010738EINECS 214-254-7NSC 715461,2-Octanediol, 98%
데이터베이스 식별자
- CAS
1117-86-8- PubChem CID
- 14231
- DTXSID
DTXSID9036646- ChEMBL
CHEMBL3186864- ChEBI
CHEBI:34056- UNII
- 00YIU5438U
- EC Number
- 214-254-7
- Nikkaji
- J103.154F
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 64.3
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
PolymersOther Classes -> Alcohols and Polyols, Other
Cosmetics
Cosmetic ingredients (Caprylyl Glycol) -> CIR (Cosmetic Ingredient Review)
Hair conditioning; Humectant; Emollient
FragrancesFragrance Ingredient (1,2-Octanediol) -> IFRA transparency List
Physical Description
Liquid
White solid; mp = 30-35 deg C; [CBW MSDS]
물리화학적 성질
- 녹는점
- 36 · 36-38 °C (lit.)
- 끓는 점
- 131 · 131-132 °C/10 mmHg (lit.)
- 밀도
- 0.914 · 0.914
- 증기 밀도
- 1 · >1 (vs air)
- 증기압
- 0.28 Pa · 0.28Pa at 25℃
- 굴절률
- 1.4505 · 1.4505 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 3 g/L · 3g/L(20°C)
- 물리적 상태
- 저융점 고체
- 산도 계수 (pKa)
- 14.6 · 14.60±0.10(Predicted)
- 색상
- 무색~백색
- 수용성
- 3 g/L · 3g/L(20℃)
- BRN
- 1719619 · 1719619
- 화장품 원료 기능
- 피부 컨디셔닝 - 보습제탈취제헤어 컨디셔닝피부 컨디셔닝
- LogP
- 2.1 at · 2.1 at 25℃
- NIST
- 1 · 1,2-Octanediol(1117-86-8)
- EPA
- 1 · 1,2-Octanediol (1117-86-8)
화학적 성질
colorless to white low melting solid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 15.9% (77 of 485) of reports.
Warning
H319 (82.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 485 reports by companies from 5 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1,2-Octanediol
1,2-Octanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Octanediol 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: 26-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14120
1,2-Octanediol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA severe eye irritant that may cause serious injury; [CBW MSDS] See 2-Octanol.
EPA Safer ChemicalChemical: Caprylyl glycol
Hazard Classes and CategoriesEye Irrit. 2 (82.9%)
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
- 2
- tsca
- TSCA listed
- HS 번호
- 29053990
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 37/39-26-24/25
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-26617
화학 및 산업
용도 및 제조
Uses
CIR ingredient: Caprylyl Glycol
Used in cosmetic and pharmaceutic preparations; [CBW MSDS]
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesStabilizing agent
Industry UsesStabilizing agent
Household ProductsInformation on 117 consumer products that contain Caprylyl glycol in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Emollients;Preservatives and Antioxidants;Solvents
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Fragrance Ingredients
Cosmetics -> Hair conditioning; Humectant; Emollient
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
1,2-Octanediol: ACTIVE
응용 분야
용도caprylyl glycol (1,2-Octanediol) is an emollient with moisturizing properties that may also be used as a cosmetic stabilizer. When found in combination with phenoxyethanol these two ingredients work together as an anti-microbial.
용도Researchers used 1,2-octanediol (1,2-OcD) as a model substrate for the development of catalyst WOx-Pd/rutile TiO2 for the one-pot production of dialkyl ether (dioctyl ether (OE) from 1,2-OcD) from diol by hydrodeoxygenation[1].
일반 설명1,2-Octanediol is a potential pediculicide and is useful for treating head louse infestation clinically.
제조 방법
생산 방법1,2-octanediol could be obtained by epoxidation of 1-olefin with performic acid, a reaction product of hydrogen peroxide and formic acid, hydroxylation with water, or transesterification of ester produced by side reaction with methanol.
상·하류 제품 정보
상류 원료
하류 제품
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