헥산디올(1,2)
1,2-Hexanediol
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기본 정보
- CAS
6920-22-5- 표준 SMILES
CCCCC(O)CO- InChIKey
FHKSXSQHXQEMOK-UHFFFAOYSA-N- 분자식
- C6H14O2
- 평균 분자량
- 118.17 g/mol
- 단동위원소 질량
- 118.09937969
개요
See also: ANUBISMED (FDA NDC: 83021-750) (component of); Anubis Barcelona (FDA NDC: 83021-877) (component of) ... View More ...
이름 및 식별자
- 우선 이름
- 1,2-Hexanediol
- IUPAC
- hexane-1,2-diol
- 현지명
- 헥산디올(1,2)
- 영어명
- 1,2-Hexanediol
- 분자식
- C6H14O2
- 분자량
- 118.17
이름 및 동의어
1,2-Hexanediol6920-22-5DL-1,2-Hexanediol1,2-Dihydroxyhexane5,6-DihydroxyhexaneTR046Y3K1GDTXSID40863959RefChem:412076DTXCID80812527230-029-6hexane-1,2-dioldl-hexane-1,2-diol
이름 더 보기
1,2-헥산다이올헥산디올(1,2)HDODL-1PRO172UNQ146
MFCD000107371,2-Hexylene GlycolUNII-TR046Y3K1G(+/-)-Hexane-1,2-diol; 1,2-Dihydroxyhexane; 1,2-Hexyleneglycol; 5,6-Dihydroxyhexane; DL-1,2-Hexanediol; KMO 61,2-hexyleneglycolEINECS 230-029-6AI3-13210(2R)-1,2-Hexanediol
데이터베이스 식별자
- CAS
6920-22-5- PubChem CID
- 94335
- DTXSID
DTXSID40863959- UNII
- TR046Y3K1G
- EC Number
- 230-029-6
- Nikkaji
- J101.042E
물성
구조 계산 물성보충 중
- XLogP
- 0.7
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 45.8
실험 및 물리화학적 성질
PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsCosmetic ingredients (1,2-Hexanediol) -> CIR (Cosmetic Ingredient Review)
FragrancesFragrance Ingredient (1,2-Hexanediol) -> IFRA transparency List
Physical Description
Liquid
Light yellow liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 45 °C · 45°C
- 끓는 점
- 223 · 223-224 °C (lit.)
- 밀도
- 0.951 g/mL · 0.951 g/mL at 25 °C (lit.)
- 증기압
- 0.576 Pa · 0.576Pa at 25℃
- 굴절률
- 20 · n20/D 1.442(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 14.49 · 14.49±0.20(Predicted)
- 물리적 상태
- 액체
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 16.7% (78 of 466) of reports.
Warning
H315 (20.4%): 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 466 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,2-Hexanediol
1,2-Hexanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Hexanediol 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)
Status: Active Update: 28-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11614
1,2-Hexanediol: 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 InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryAn eye irritant; [ECHA REACH Registrations] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See 2,5-Hexanediol and 1,6-Hexanediol.
EPA Safer ChemicalChemical: 1,2-Hexanediol
Hazard Classes and CategoriesSkin Irrit. 2 (20.4%)
독성 정보
화학 및 산업
용도 및 제조
Uses
CIR ingredient: 1,2-Hexanediol
Used to formulate cosmetics, personal care products, pharmaceuticals, inks and toners, perfumes, and fragrances; [ECHA REACH Registrations]
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesOther
Industry UsesIntermediates
Household ProductsInformation on 19 consumer products that contain 1,2-Hexanediol in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Fragrance Ingredients
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,2-Hexanediol: ACTIVE
응용 분야
개요헥산의 1,2번 탄소에 두개의 히드록시를 갖는 다이올 형태로 보습성과 항균성이 우수함.
용도자극이 거의 없어 화장품이나 천연 추출물의 보존제로 널리 쓰이고 있음물, 알콜에 대한 상용성이 우수.
개요1,2-Hexanediol is a linear aliphatic diol with a carbon chain length containing six carbons. It is a synthetic preservative and moisture-binding agent belonging to a class of agents known as higher molecular glycols. It is considered non-sensitizing. It is ideal for use as an emollient, humectant, and wetting agent in cosmetic and skin care products.
일반 설명1,2-Hexanediol acts as cosurfactant, used for modifying the sodium dodecyl sulfate micelles. Solubility of 1,2-hexanediol in supercritical CO2 has been reported. It has a tendency of self-association to form micelle-like aggregates.
관련 반응
6건
화합물 노트
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