기본 정보
- CAS
112-25-4- 표준 SMILES
CCCCCCOCCO- InChIKey
UPGSWASWQBLSKZ-UHFFFAOYSA-N- 분자식
- C8H18O2
- 평균 분자량
- 146.23 g/mol
- 단동위원소 질량
- 146.13067981
개요
See also: Hexan-1-ol, ethoxylated (annotation moved to); Hexyl poly(oxyethylene) ether (annotation moved to).
이름 및 식별자
- 우선 이름
- Glycol monohexyl ether
- IUPAC
- 2-hexoxyethanol
- 현지명
- 에틸렌글리콜모노노르말헥실에테르
- 영어명
- 2-(Hexyloxy)ethanol
- 분자식
- C8H18O2
- 분자량
- 146.23
이름 및 동의어
2-(Hexyloxy)ethanol112-25-4Ethylene glycol monohexyl ether2-Hexyloxyethanol2-HEXOXYETHANOLEthanol, 2-(hexyloxy)-Hexyl cellosolven-Hexyl cellosolveGlycol monohexyl etherCellosolve, N-hexyl-Ethylene glycol n-hexyl etherEthanol, 2-hexyloxy-
이름 더 보기
2-헥실옥시에탄올에틸렌글리콜모노노르말헥실에테르헥실셀로솔브헥실옥시에탄올2-헥속시에탄올2-(헥실옥시)에탄올2-헥스옥시에탄올3-옥사-1-노난올n-헥실 셀로솔브글라이콜 모노헥실 에터에탄올, 2-(헥실옥시)-에틸렌 글라이콜 n-헥실 에터에틸렌 글라이콜 모노-n-헥실 에터에틸렌 글라이콜 모노헥실 에터헥실 셀로솔브2-헥실옥시-1-에탄올Ethylenegylcolmono-N-hexyletherC6E1HEXYLGLYCOLhexylcellosolve2-hexyloxy-ethanon-hexyl-cellosolv
DTXSID1026908Ethylene glycol-n-monohexyl ether7P0O8282NRDTXCID606908EGHERefChem:922359203-951-12-(hexyloxy)ethan-1-ol
데이터베이스 식별자
- CAS
112-25-4、31726-34-8- PubChem CID
- 8170
- DTXSID
DTXSID1026908- ChEMBL
CHEMBL3188016- UNII
- 7P0O8282NR
- EC Number
- 203-951-1
- Nikkaji
- J92.968I
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 55.2
실험 및 물리화학적 성질
SolventsSolvents -> Glycol Ethers (E Series)
SpringerMaterials PropertiesBoiling point
LogP
1.57
1.86
Density
0.8894 @ 20 °C/20 °C
Relative density (water = 1): 0.89
Color/FormWATER-WHITE LIQ
Solubility
SLIGHTLY SOL IN WATER; VERY SOL IN ALC & ETHER
Solubility in water: poor
Flash Point
195 °F OC
81.7 °C c.c.
Boiling Point
208 °C @ 760 MM HG
208.3 °C
Melting Point
-45.1 °C
-45 °C
Vapor Pressure
0.05 [mmHg]
0.05 MM HG @ 20 °C
Vapor pressure, Pa at 20 °C: 7
Refractive IndexINDEX OF REFRACTION: 1.4291 @ 20 °C/D
Physical Description
Liquid
Colorless hygroscopic liquid; [CHEMINFO]
COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
물리화학적 성질
- 녹는점
- -45.1 ℃ · -45.1℃
- 끓는 점
- 98 · 98-99°C 0,15mm
- 밀도
- 0.888 g/mL · 0.888 g/mL at 20 °C(lit.)
- 증기압
- 10 Pa · 10Pa at 20℃
- 굴절률
- 20 · n20/D 1.431
- 인화점
- 98 · 98-99°C/0.15mm
- 저장 조건
- -15 °C · -15°C
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 14.44 · 14.44±0.10(Predicted)
- 색상
- 무색~연황색
- 수용성
- 알코올과 에테르, 물(9.46g/L)에 용해됩니다.
- BRN
- 1734691 · 1734691
- Henry's Law Constant
- 3.2 · 3.2×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- 화장품 원료 기능
- 용제
- InChI
- 1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3
- InChIKey
- UPGSWASWQBLSKZ-UHFFFAOYSA-N
- SMILES
- CCCCCCOCCO || CCCCCCOCCO
- LogP
- 1.97 at · 1.97 at 25℃
- EPA
- Ethylene glycol monohexyl ether (112-25-4)
화학적 성질
Colorless liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.2% (1 of 431) of reports.
Danger
H302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: Poly(oxy-1,2-ethanediyl), .alpha.-hexyl-.omega.-hydroxy-
Chemical: Ethanol, 2-(hexyloxy)-
Ethanol, 2-(hexyloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-(hexyloxy)- 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)
FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.
REACH registered substance: 2-hexyloxyethanol (EC: 203-951-1)
Ethylene glycol methyl ether: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - Ethanol, 2-(hexyloxy)-: Environment tier I assessment
IMAP assessments - Ethoxylates of aliphatic alcohols (>C6): Human health tier II assessment
Fire HazardsCombustible. Above 81.7 °C explosive vapour/air mixtures may be formed.
Hazards SummaryMay cause CNS depression and kidney injury; [HSDB] A severe skin, eye, and respiratory tract irritant; The substance may have effects on the blood. [ICSC] An irritant; May be absorbed through skin; [MSDSonline] See GLYCOL ETHERS.
EC ClassificationSymbol: C; R: 21/22-34; S: (1/2)-26-36/37/39-45
Chemical DangersThe substance can presumably form explosive peroxides. Reacts violently with strong oxidants.
Physical DangersThe vapour is heavier than air.
Hazard Classes and Categories
Acute Tox. 4 (99.5%)
Acute toxicity - category 4
Acute toxicity (ingestion) - category 4
Skin corrosion/irritation - Category 2
Flammable liquids - Category 4
Acute Tox. 4 *
Explosive Limits and PotentialExplosive limits , vol% in air: 1.2-8.1
안전 및 보호
Fire FightingUse water spray, powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
Fresh air, rest. Refer for medical attention.
Remove contaminated clothes. Rinse skin with plenty of water or shower.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .
Safe StorageSeparated from strong oxidants.
Spillage DisposalPersonal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible.
Eye PreventionWear safety goggles.
Fire PreventionNO open flames. Above 81.7 °C use a closed system and ventilation.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionSTRICT HYGIENE!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation, local exhaust or breathing protection.
Effects of Long Term ExposureThe substance may have effects on the blood.
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion.
Signs and Symptoms
Cough. Sore throat. Burning sensation. Shortness of breath.
MAY BE ABSORBED! Redness. Pain.
Redness. Pain.
Abdominal pain. Nausea. Vomiting. Diarrhoea.
Human Toxicity Excerpts
CENTRAL NERVOUS DEPRESSION AS WITH ETHYLENE GLYCOL, BUT THE ETHER DERIVATIVES PRODUCE MORE MARKED KIDNEY INJURY & HEMATURIA (APPARENTLY WITHOUT OXALIC ACID FORMATION OR CRYSTALLURIA). /CELLOSOLVES/
ACUTE TOXICITIES ARE SEVERAL TIMES GREATER THAN THAT OF ETHYLENE GLYCOL IN ANIMALS (CLINICAL DATA ARE INADEQUATE FOR VALID COMPARISONS). ETHER LINKAGE IS SUPPOSEDLY STABLE IN VIVO. /CELLOSOLVES/
Non-Human Toxicity Excerpts
IT IS SEVERELY INJURIOUS TO EYE...CAUSING SEVERE RABBIT EYE IRRITATION & MARKED CORNEAL DAMAGE, BUT IT IS ESSENTIALLY NONIRRITATING TO THE SKIN OF RABBITS. HOWEVER, IT IS MODERATE IN TOXICITY BY SKIN ABSORPTION... BECAUSE OF ITS LOW VOLATILITY, RATS EXPOSED TO ESSENTIALLY SATURATED VAPORS WERE NOT SIGNIFICANTLY AFFECTED.
Probable Routes of Human Exposure
...ETHYLENE GLYCOL-N-MONOHEXYL ETHER SHOULD BE HANDLED WITH GREAT CARE TO PREVENT EYE CONTACT & TO AVOID SKIN CONTACT BECAUSE OF ITS TOXICITY BY ABSORPTION. UNTIL MORE IS KNOWN IT WOULD SEEM WISE ALSO TO AVOID REPEATED EXPOSURE TO ITS VAPORS.
Toxicity DataLC (rat) > 83 ppm/4h
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- KL2450000
- ridadr
- UN 2922 8/PG 3
- HS 번호
- 29091990
- risk_code
- 21/22-34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- III
- 위험 등급
- 6.1
- 기존화학 물질
- KE-13669
- F 고인화성물질
- 10-23
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 OralSkin Corr. 1B
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- 유해 물질 데이터
- 112-25-4(Hazardous Substances Data)
화학 및 산업
약리 정보
Absorption, Distribution and ExcretionTHESE ETHERS PENETRATE INTACT SKIN. /CELLOSOLVES/
용도 및 제조
Uses
Used as a high-boiling solvent; as a chemical intermediate for hexyloxyethyl phosphate and neopentanoate; [HSDB] Used as a coalescing agent in latex paints and cleaners; [eChemPortal: SIDSUNEP]
Painting (Solvents) [Category: Paint]
HIGH-BOILING SOLVENT
SOLVENT (EG, FOR SURFACE COATINGS & CLEANING SOLNS)
CHEM INT FOR HEXYLOXYETHYL PHOSPHATE & NEOPENTANOATE
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 5,000,000 - <10,000,000 lb
(1979) No Data
(1981) No Data
Consumer UsesSolvent
Industry UsesSolvent
Methods of ManufacturingREACTION OF ETHYLENE OXIDE WITH 1-HEXANOL (PRODUCT IS ISOLATED FROM THE REACTION MIXT BY VACUUM DISTILLATION)
Household ProductsInformation on 83 consumer products that contain Ethylene glycol n-hexyl ether in the following categories is provided:
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Ethanol, 2-(hexyloxy)-: ACTIVE
Poly(oxy-1,2-ethanediyl), .alpha.-hexyl-.omega.-hydroxy-: ACTIVE
응용 분야
용도High-boiling solvent.
상·하류 제품 정보
상류 원료
관련 반응
3건
화합물 노트
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