2-Methylundecane (HCID 23459)

이름 및 식별자

우선 이름: 2-Methylundecane
IUPAC: 2-methylundecane
현지명: 이소도데칸
영어명: Isododecane
분자식: C12H26
분자량: 170.33

이름 및 동의어

2-Methylundecane7045-71-8Undecane, 2-methyl-H40FL8477BEINECS 230-323-4DTXSID50873241Undecane, 2methylRefChem:476305DTXCID5021590230-323-4ISODODECANE31807-55-3

이름 더 보기

2,2,4,6,6-펜타메틸헵탄이소도데칸아이소도데케인 (이성질체 혼합물)Isodoecaneisododecane, mixture of isomersIsododecane ISO 9001：2015 REACHIsododecane, mixture of isomers, tech. 80%Isododecane mixture of isomers, technical, >=80% (GC)

MFCD000361062-Methylhendecaneisodo-decaneUNII-H40FL8477BEINECS 250-816-82-METHYL UNDECANESCHEMBL36787SCHEMBL56464

데이터베이스 식별자

CAS: 31807-55-3、7045-71-8
PubChem CID: 23459
DTXSID: DTXSID50873241
ChEBI: CHEBI:229354
UNII: H40FL8477B
EC Number: 230-323-4、250-816-8
Nikkaji: J125.243G

물성

구조 계산 물성

XLogP: 6.4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 8
무거운 원자 수: 12
형식 전하: 0
복잡도: 74

실험 및 물리화학적 성질

Kovats Retention Index · 3건

1170；1164；1165.25；1165.39；1165.41；1165；1165；1167；1163；1164；1166；1166；1167；1164；1162；1166；1165.5；1166；1149.4；1166

1163；1164；1165.1；1163；1164.4；1164.52；1164.69；1164；1213；1164；1162；1168；1164；1166；1164；1167；1165；1162

1155

물리화학적 성질

끓는 점: 170 · 170-195°C
밀도: 0.74 · 0.74
굴절률: 1.421 · 1.4210
인화점: 170 · 170-195°C
물리적 상태: 액체
수용성: 물과 섞이지 않습니다.
Henry's Law Constant: 1.1 · 1.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
화장품 원료 기능: 용제향수피부 컨디셔닝 - 보습제
InChI: InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3
InChIKey: GTJOHISYCKPIMT-UHFFFAOYSA-N
SMILES: C(CCC(C)C)CCCCCC
LogP: 6.665 · 6.665 (est)
EPA: Isododecane (31807-55-3)

화학적 성질 · 1건

Isododecane is a clear, colorless, volatile, and odorless liquid. It provides a light, non-oily feel with little residue and excellent solvency. With a viscosity of approximately 1 centipoise, it can be used in applications which include: hair care, sun care, antiperspirants, color cosmetics, mascaras and fragrance products. Isododecane, mixture of isomer acts as a reaction medium used for polymerization reactions. It is also useful as an emollient and solvent in skin care products due to its high spreadability, low viscosity and density. It is commonly used in anti-aging serums and also useful in many different cosmetic items like eyeliner, hair care, hair sprays, perfume, conditioners and lotions.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.1% (2 of 1796) of reports.

Danger

H226 (22.9%): Flammable liquid and vapor [Warning Flammable liquids]；H304 (99.3%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1796 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 1796 reports by companies.；There are 12 notifications provided by 1794 of 1796 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 3건

Chemical: Isododecane

Isododecane: 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.

Undecane, 2-methyl-: 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.

Hazard Classes and Categories · 2건

Asp. Tox. 1 (100%)

Flam. Liq. 3 (22.9%)；Asp. Tox. 1 (99.3%)

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

규제 정보

Regulatory Information · 3건

Chemical: Isododecane

Isododecane: 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.

Undecane, 2-methyl-: 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.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2286 3/PG 3
risk_code: 10-65
hazard_code: Xn
safety_code: 62
포장분류: III
위험 등급: 3
기존화학 물질: KE-21511
Hazard Classifications: Asp. Tox. 1Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

UsesCIR ingredient: Isododecane

Household ProductsInformation on 36 consumer products that contain Isododecane in the following categories is provided:；• Personal Care

Use Classification · 2건

Fragrance Ingredients

Cosmetics -> Solvent; Emollient

General Manufacturing InformationIsododecane: ACTIVE

응용 분야 · 1건

용도Isododecane is an excellent solvent and can be used in a variety of cosmetic and personal care ingredients. It has a weightless feel and enhance spreadability of products. It is use as an ingredient in the manufacture of personal care products, including cosmetics (mascara, eyeliner and lip products), make-up removers, face creams, pre- and aftershaves, sun care products, deodorant sprays and hair care products.