헥산디올(1,2)

1,2-Hexanediol

HCID 94335CAS 6920-22-5
부분 구조 검색유사 구조 찾기

기본 정보

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 물성

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

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 · 2건

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

화학적 성질

clear colorless to light yellow liquid.

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 4건

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

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
36/37/38
hazard_code
Xi
safety_code
26-36-37/39

화학 및 산업

용도 및 제조

Uses · 2건

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 · 3건

EPA Safer Chemical Functional Use Classes -> Solvents

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

Fragrance Ingredients

응용 분야 · 4건

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.

제조 방법 · 1건

1,2-Hexanediol was synthesized with an overall yield of approximately 45% using a multi-step process that involved a-bromination of caproic acid, followed by hydrolysis to a-hydroxycaproic acid, and concluded with reduction using lithium aluminum hydride. In an alternate method, the organic acid was oxidized with H2O2 to form a peroxy acid, which in turn epoxidized the olefin double bond and ultimately underwent hydrolysis to yield 1,2-hexanediol.SYNTHESIS OF SOME HEXANEDIOLS

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
浙江荣大化工有限公司571-88086013

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