Water

POLY[6-[4-(4-CYANOPHENYL)PHENOXY]HEXYL

Identifiers & Physical Properties

CAS No.	117318-92-0
Molecular formula	H2O
Average molar mass	18.015 g/mol
Monoisotopic mass	18.01056468 g/mol
SMILES	O
InChIKey	XLYOFNOQVPJJNP-UHFFFAOYSA-N
PubChem CID	962
ChEMBL	CHEMBL1098659
ChEBI	CHEBI:15377
EC No.	231-791-2
DTXSID	DTXSID6026296

Chemical & Physical Properties

XLogP	-0.5
Topological polar surface area	1
Hydrogen bond donors	1
Hydrogen bond acceptors	1
Rotatable bonds	0
Heavy atoms	1
Formal charge	0
Complexity	0
LogP (partition coefficient)	-1.38
Odor	Odorless
Taste	Tasteless
Density	10.9950 g/cu cm at 25 °CChemical and physical properties[Table#8152]Expands on freezing. Temp of max density 3.98 °C. density: 1.000000g/mL at 3.98 °C0.917 g/cc at 0 °C (ice)0.999868 at 0 °C/4 °C (liquid)Weight of sea water: approximately 63.93 lb/cu ft at 15 °Cdensity of sea water: approximately 1.025 g/cu cm at 25 °CIce Properties[Table#8154]
Viscosity	Dynamic viscosity: 0.8949 cP at 25 °CKinematic viscosity: 0.8976 cP at 25 °C
Color/Form	Colorless liquid
Solubility	Completely miscibleWater dissolves some amount of virtually every solid or gas with wich it comes in contact.Very soluble in ethanol, methanol, acetone55.5 mol/L
Corrosivity	The solvent powers of water exerted in man-made conduit/pipe systems ... lead to ... corrosion and scaling
Boiling point	212 °F at 760 mmHg10099.974 °C
Melting point	32 °F00 °C101-106 °C(lit.)
Vapor pressure	23.75 [mmHg]VP: 760 mm Hg at 100 °CVP: 611.657 Pa at 273.16 K
Surface Tension	71.97 dyne/cm at 25 °C
Physical state	solid
UNSPSC Code	12352103
NACRES	NA.23
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P261-P264-P271-P280-P302+P352-P305+P351+P338
Target organs	Respiratory system
Personal protective equipment (PPE)	dust mask type N95 (US), Eyeshields, Gloves
Hazard symbols	Xi
Risk statements (R)	36/37/38
Safety statements (S)	26-36
Water hazard class (WGK)	3
Storage class	11 - Combustible Solids
Hazard class	Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & Regulations

GHS classification	This chemical does not meet GHS hazard criteria for 99.5% (1866 of 1876) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 1866 of 1876 companies (only 0.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 1876 reports by companies from 9 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 1866 of 1876 reports by companies.There are 7 notifications provided by 10 of 1876 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.WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]
Regulatory information	Chemical: WaterRegulation (EC) No 178/2002 (amended)Water is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Water 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)XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).Water: Non hazardous
Other safety information	IMAP assessments - Water: Human health tier I assessment
Health hazards	Water itself is nontoxic and is in fact essential for life. Solutes dissolved in water may be toxic, but those interactions are covered by the reactive groups that the solute belongs to.
Reactive group	Water and Aqueous Solutions
Special Reports	EPAWater: Laboratory Certification.[EPAWater: Laboratory CertificationDrinking Water Analytical MethodsAvailable from, as of February 4, 2014: http://water.epa.gov/scitech/drinkingwater/labcert/analyticalmethods.cfm#approved]
EPA Safer Chemical	Chemical: WaterGreen circle - The chemical has been verified to be of low concern based on experimental and modeled data.
Reactivity Profile	Water reacts with many substances, including but not limited to alkali metals, hydrides, strong halogenating agents, and chlorosilanes. These reactions can be hazardous and may result in flammable or toxic gas production, or generation of excessive heat that may cause pressurization to occur. Another reactive hazard is heat of mixing. Mixing substances such as sulfuric acid or sodium hydroxide with water may generate significant heat. Additionally, water is a good solvent for polar molecules, so it can form aqueous solutions if it comes into contact with such molecules.
Air and Water Reactions	No rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories	Not ClassifiedSkin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
Critical Temperature and Pressure	Critical temperature: 374.2 °Ccritical pressure: 218 atm
CSL Reaction Information	CSL00038SODIUM BOROHYDRIDE + WATERGas evolution. Ensure complete destruction of borane by using appropriate quench time and pHGas Under PressureUser-Reported
Interactions	Because groundwater contamination is an important environmental concern, we examined the hepatic and renal effects of repeated exposure to a mixture of 25 chemicals frequently found in groundwater near hazardous-waste disposal sites and the effect of such exposure on carbon tetrachloride (CCI4) toxicity. Adult male F-344 rats received ad libitum deionized water and feed (Ad Lib Water) or ad libitum 10% MIX (referring to 10% of a technically achievable stock mixture) and feed for 14 d. Because exposure to the 25-chemical mixture via the drinking water resulted in decreased water and feed consumption, restricted deionized water and feed controls (Restricted Water) were included. On d 14, rats were gavaged with 0, 0.0375, 0.05, 0.075 or 0.15 mL CCl4/kg, and hepatic and renal toxicity assessed 24 hr later. Little or no hepatic and renal toxicity was observed in rats exposed to 10% MIX alone. No hepatic or renal lesions occurred that could be attributed to 10% MIX alone. Slight but statistically significant alterations, of uncertain biological significance, resulted from the water treatments: 10% MIX increased alanine aminotransferase, urea nitrogen (BUN), and BUN/creatinine ratioRestricted Water increased 5'-nucleotidase and decreased alkaline phosphatase. Relative kidney weight was increased by both 10% MIX and Restricted Water. CCI4 resulted in significant dosage-dependent hepatotoxicity in all three water treatment groups but had little or no effect on renal indicators of toxicity. Relative to Ad Lib Water, significantly greater hepatotoxicity occurred in both 10% MIX and Restricted Water rats. The response to CCI4 in the Restricted Water rats was similar to that of 10% MIX rats, indicating that a substantial portion of the effect of 10% MIX on CCI4 hepatotoxicity is due to decreased water and feed intake.
Environmental fate	Water which evaporates from the surface of oceans, fresh watercourses, and vegetation is carried in the air to be precipitated as rainfall or snow. The molecules of water vapor in air are pure waterfalling raindrops formed by their condensation are saturated with nitrogen, oxygen and other atmospheric gases. During precipitation, raindrops entrain dust, smoke particles and fumes. Rain which falls on land surfaces runs over the ground to the nearest watercourse, carrying with it eroded soil, decaying vegetation, microorganisms and colloidal and suspended matter. The remainder of the rain seeps into soil and flows underground. Except in areas where groundwater is over-pumped, this water eventually flows out into an open watercourse. In its transit through topsoil, this water dissolves carbon dioxide which makes it more acid. With passage through ground and rocks, it dissolves many minerals such as calcium, magnesium, iron and manganesealso sulfates, silicates and chlorides(1).Natural water systems contain numerous minerals and often a gas phase ... The distribution of chemical species in waters is strongly influenced by an interaction of mixing cycles and biological cycles. ... The maintenance of life in aquatic ecosystems results directly or indirectly from the steady impact of solar energy. Photosynthesis is carried out mostly by algae and water plantsit may be conceived as a disproportionation of water into an oxygen reservoir and hydrogen which forms high energy bonds with carbon, nitrogen, sulfur, and phosphorus compounds that are incorporated as organic matter in the biomass. ... The composition of natural waters is strongly influenced by the growth, distribution, and decay of algae and other organisms. Organisms regulate the oceanic and lacustrine composition and its variation with depth. Dissolved constituents are taken up by organisms. Their remains sink under the influence of gravity and are gradually destroyed by oxidation. The superposition of this particular cycle upon the ordinary mixing cycle in the ocean or in lakes accounts for the variation in depth and distribution of chemical properties.
Plant Concentrations	The top 40 plants containing water(1).[Table#8155]
Ongoing Test Status	The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical.[Available from, as of February 5, 2014: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=7732-18-5]
Effluent Concentrations	Stormwater runoff carries urban pollution into rivers and lakes(1,2). Stormwater runoff is generated when rain and snowmelt do not soak into the ground but flow over land or impervious surfaces such as streets, parking lots, and building rooftops, accumulating debris, chemicals, sediment or other pollutants that could adversely affect water quality if the runoff is discharged untreated(1). Agriculture is the leading source of impairment to freshwater sources in the US. When excess fertilizer washes into rivers and lakes it causes algal blooms that lead to taste and health problems. Nitrogen-laden waters can also damage aquatic life leading to the formation of "dead zones"(2).
Natural Pollution Sources	Water is absolutely essential to all life. The protoplasm of most living cells contains about 80% water. Most of the earth's surface is covered with water(1). The most striking feature of the earth is the extensive hydrosphere, lacking from neighboring planets. 97.22% of earth's water is captured in oceans, with approximately 2% of water locked up in polar icecaps and glaciers. Water found in land, including surface and groundwater, makes up <1% of the earth's water resources. Groundwater represents more than 97% of the usable freshwater resources and is a major source of replenishment for surface water. Water resources are renewable but finite and scarce. Only freshwater flowing through the solar-powered hydrological cycle is renewable(2).The most abundant gas typically released into the atmosphere from volcanic systems is water vapor, followed by cabon dioxide and sulfur dioxide. Locally sulfur dioxide gas can lead to acid rain and air pollution downwind from a volcano(1).
Human Toxicity Excerpts	/SIGNS AND SYMPTOMS/ Human systemic effects by ingestion of very large amounts: body temperature increase, convulsions, diarrhea, fever, hypermotility, muscle contraction or spasticity, mydriasis, nausea or vomiting, tremors./CASE REPORTS/ Dilutional hyponatremia is a serious adverse effect of desmopressin, a vasopressin analog that is widely prescribed to manage monosymptomatic enuresis. The presentation of hyponatremia, largely related to cerebral dysfunction, can include severe signs like altered mental status and seizures. /The authors/ reviewed the literature dealing with altered mental status or seizures in enuretic subjects on desmopressin. The retained publications included patients who were described individually, revealing data on mode of administration, further identifiable factors predisposing to hyponatremia, presentation and clinical course. /It was/ found 54 cases of hyponatremia secondary to desmopressin treatment presenting with altered mental status or seizures. In most cases the complication developed 14 days or less after starting desmopressin. An intranasal formulation had been used in 47 patients. Excess fluid intake was documented as a contributing factor in at least 22 cases. In 6 cases severe signs of hyponatremia developed in the context of intercurrent illnesses. Altered mental status or seizures are very rare but recognized complications of desmopressin in enuresis. This complication mostly develops in subjects managed with the intranasal formulation 14 days or less after starting the medication, following excess fluid intake and during intercurrent illnesses./CASE REPORTS/ A 62-year-old man with no major comorbidities became acutely hyponatremic on the second postoperative day following a routine carotid endarterectomy. He developed a headache, became hypertensive and confused, and then had a seizure and required intubation and admission to the intensive care unit. A CT angiogram of his head and carotid arteries was normal, as was a subsequent MRI head. His serum and urine osmolality were low. He was treated by fluid restriction and his hyponatraemia resolved over 3 days. On discontinuation of sedation the patient woke up appropriately. The cause of his hyponatremia was initially a mystery but when questioned by the medical team he admitted that he drank about 5 liters of water in the afternoon on the second postoperative day. At this point the diagnosis of dilutional hypervolemic hyponatremia secondary to water intoxication could be made./CASE REPORTS/ A syndrome of hyponatremia associated with excessive beer drinking was first recognised in 1971. This syndrome has been referred to as beer potomania. Dilutional hyponatremia occurs due to excessive consumption of an exclusive beer diet which is poor in salt and protein. /The authors/ report a case of beer potomania who improved dramatically with introduction of solute load, with no subsequent neurological sequelae.For more Human Toxicity Excerpts (Complete) data for Water (9 total), please visit the HSDB record page.
Artificial Pollution Sources	Household leaks can waste more than 1 trillion gallons annually in the US. Ten percent of homes in the USA have leaks that waste 90 gallons or more of water per day(1).
Sediment/Soil Concentrations	Wetlands are part of the foundation of water resources and are vital to the health of waterways and communities downstream. Wetlands feed downstream waters, trap floodwaters, recharge groundwater supplies, filter pollution, and provide fish and wildlife habitat. Wetlands include swamps, marshes and bogs. Wetlands also reduce flood risks(1). Forests, grasslands, wetlands, and flood plains stabilize water flow into rivers, lakes, and groundwater(2).
Drug Induced Liver Injury	Drug Induced Liver Injury Rank (DILIrank 2.0)Sterile watervNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015
Non-Human Toxicity Excerpts	/LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ The Sprague Dawley rat was used to assess the reproductive and teratologic effects of the highly treated reclaimed water derived from secondary wastewater by the Denver Water Department. A two-generation reproduction study with teratology phase was conducted using test groups receiving a 500x concentration of reclaimed wastewater or a 500x concentration of wastewater processed by an ultrafiltration process and control groups receiving commercially obtained distilled water or a 500x concentration of Denver's present high quality water. Fifty rats per sex in the first generation (F0) received the specified dosing regimen. From the offspring of this generation, 35 rats/sex/group (F1) received the appropriate drinking water through growth and maturation and during three breeding (F2a, b and c) and gestation periods... The evaluation of data from two generations of growth, breeding, gestation and lactation indicated no adverse reproductive effects from exposure to any of the dose-water regimens./LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ Increasing usage of the energy generated by nuclear fission and fusion plants leads to release a large quantity of tritiated water (HTO) into the environment. From the point of radiation hazard, it is urgent needs to evaluate biological effect of HTO. In particular, it appears of interest to assess the effects on the development of fetuses exposed continuously by HTO throughout pregnancy. To determine the radiation effect of tritiated water on fetal development, BC3F1 female mice were provided various doses (50-500 uCi/mL) of HTO throughout pregnancy. The litter size decreased gradually as the doses became higher. The number of stillbirth per litter increased in turn. For lower doses of HTO, pre-implantation death would be a major factor for the reduction of the litter size. Fetal body weight, brain weight, head size and protein contents of the brain were examined in the fetuses irradiated. At relatively low dose (50 uCi/mL), no observable effect was found. But for higher doses, HTO had detrimental effect on the embryonal development. /Tritiated water//LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ Objective: To determine the impact of new types of drinking water on health. Methods: Parents mice were fed with magnetized mineral water, activated water, purified water, mineral water, alkaline ionized water and natural water respectively for 3 months, and of offspring mice for 3 months. Results: To compare with natural water, activated water and magnetized mineral water could significantly increase the body weight of paternal mice (P < 0 .05), while mineral water and alkaline ionized water could significantly decrease the body weight of offspring male mice (P < 0.05), magnetized mineral water could significantly decrease the body weight of offspring mice (P < 0.05). Purified water could significantly decrease the neonatal mice weight (P < 0.05). Activated water and magnetized mineral water could significantly increase the neonatal mice number (P < 0.05). All the 5 new types of water had no effect on mice, pregnancy rate, gestation rate and birth livability. In offspring mice, SOD /superoxide dismutase/ activity could be increased significantly (P < 0.05) by treating with magnetized mineral water, activated water, purified water, mineral water, while alkaline ionized water could decrease the activity of SOD significantly (P < 0.05) . Conclusion: Five new types of drinking water could affect the body weight of mice, but had no effect on pregnancy rate, gestation rate and birth livability of mice. Magnetized mineral water, activated water, purified water and mineral water could increase SOD activity./DEVELOPMENTAL NEUROTOXICITY/ Pregnant mice were injected intraperitoneally with different doses of tritiated water on day 13 of pregnancy. The litters received total cumulative absorbed beta-irradiation of 0 (control), 0.1, 0.2, 0.4 or 0.8 Gy due to exponentially decreasing exposure. The 0.4 Gy irradiation caused a significant reduction in brain weight but not in body weight examined at 8 weeks of age. The highest dose (0.8 Gy) inhibited both body and brain development. Histological examination showed that the cortical architecture and laminar organization were well preserved. Thickness of somatosensory cortex was decreased by the treatment, and there was significant difference between groups exposed to 0.4 Gy or more and the control. Quantitative analysis revealed that 8-week-old mice had a dose-related reduction in pyramidal cell densities. These effects were apparent in groups exposed to 0.2 Gy or more. The effect of prenatal exposure to chronic low dose-rate beta-irradiation from tritiated water may be a little greater than the same dose of acute X- or beta-irradiation. /Tritiated water/For more Non-Human Toxicity Excerpts (Complete) data for Water (7 total), please visit the HSDB record page.
Populations at Special Risk	Exercise Associated Hyponatremia (EAH) is an occurrence of endurance sports that can cause severe clinical manifestations such as cerebral edema or respiratory failure. EAH is a dilutional hyponatremia, variant of SIADH, characterized by a plasma concentration of sodium lower than 135 mEq/L. Female gender and the duration of the competitions are associated with higher risk of hyponatremia. The incidence of hyponatremia, in fact, increases with duration, especially 4-8 hours after the start of the race. Women seem to be at greater risk than men. The pathophysiological mechanisms include increased loss of sodium through sweating and excessive intake of hypotonic fluids during and after the sporting event. In the genesis of EAH seems to have a decisive role the inadequate secretion of AVP by non osmotic stimuli, including IL-6. Indications for the prevention of hyponatremia include education of athletes for adequate consumption of fluids and monitoring of changes in body weight. Following the identification of electrolyte imbalance, the treatment requires a water restriction and infusion of hypertonic solutions 3%, especially in cases of severe hyponatremia.Dilutional hyponatremia, although not uncommon, is an underestimated problem in the pediatric population. In most cases, it results from excessive hydration or water retention, also described as the so-called water intoxication. One of the most known causes is the use of desmopressin in enuretic children. This drug enhances the free water reabsorption in the renal collecting ducts.
Personal protective equipment (PPE)	dust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK)	3
Risk statements (R)	36/37/38
Signal word	Warning
GHS pictogram	GHS07
Hazard symbols	Xi
Safety statements (S)	26-36
Storage class	11 - Combustible Solids
Target organs	Respiratory system
GHS hazard statements	H315-H319-H335
Hazard class	Eye Irrit. 2Skin Irrit. 2STOT SE 3
GHS precautionary statements	P261-P264-P271-P280-P302+P352-P305+P351+P338

Applications & Uses

Uses

Side chain liquid crystalline homopolymer.