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Heptan
N-HEPTANE · heptanes · Heptan · 1-HEPTANE · Aliphatic hydrocarbon · NORMAL HEPTANE · HEPTANE FRACTION · Gettysolve-C
Identifikatoren & physikalische Daten
| CAS No. | 142-82-5 |
|---|---|
| Summenformel | C7H16 |
| Durchschnittliche Molmasse | 100,2 g/mol |
| Monoisotopische Masse | 100,12520051 g/mol |
| SMILES | CCCCCCC |
| InChIKey | IMNFDUFMRHMDMM-UHFFFAOYSA-N |
| PubChem CID | 8900 |
| ChEMBL | CHEMBL134658 |
| ChEBI | CHEBI:43098 |
| EC No. | 205-563-8 |
| DTXSID | DTXSID6024127 |
| Lokaler Name | Heptan |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 19,2 |
| Stoffklassen | Flammable agents - 3rd degree |
| Lipide | Fatty Acyls [FA] -> Hydrocarbons [FA11] |
| Solvents | Solvents -> Aliphatics, Saturated (<C12) |
| Kosmetika | SolventHair dyeing |
| SpringerMaterials Properties | Gibbs energy |
| Pestizide | Pesticide -> EPA IRIS |
| LogP (Verteilungskoeffizient) | log Kow = 4.664.48 |
| Geruch | Gasoline-like odor |
| Dichte | 0.6838 at 68 °F (USCG, 1999) - Less dense than waterwill float0.6795 g/cu cm at 25 °C% in saturated air: 6.3 at 25 °C, 760 mm Hgdensity of air saturated with vapor: 1.18 at 25 °C, 760 mm HgDensity (at 20 °C): 0.68 g/ml0.684 @25 °C0.684 g/mL at 20 °C |
| Color/Form | Colorless liquid |
| Löslichkeit | 0.0003 % (NIOSH, 2024)In water, 3.40 mg/L at 25 °CSoluble in carbon tetrachloridevery soluble in ethanolmiscible with ethyl ether, acetone, benzene, chloroform, and petroleum ether0.0034 mg/mL at 25 °CSolubility in water, mg/l at 25 °C: 2.2 (very poor)0.0003%acetone: miscible(lit.)practically insoluble |
| Corrosivity | Passes ASTM D 130-30 test |
| Schmelzpunkt | −91 °C(lit.) |
| Siedepunkt | 98 °C(lit.) |
| Dampfdichte | 3.5 (vs air) |
| Dampfdruck | 40 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.397 |
| Flammpunkt | 30 °F |
| Lagerbedingungen | Store at +5°C to +30°C. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | >14 (Schwarzenbach et al., 1993) |
| Wichte | 0.684 (20/4℃) |
| Farbe | ≤10(APHA) |
| Geruch | Gasoline. |
| Geruchsschwelle | 0.67ppm |
| Explosionsgrenze | 1-7%(V) |
| Spezifische Wärmekapazität | Cp(liquid): 2.24 J/(g·K), at 25℃ |
| Merck | 14,4659 |
| BRN | 1730763 |
| Henry-Konstante | 0.901, 1.195, and 1.905(atmm3/mol) at 26.0, 35.8, and 45.0 °C, respectively (dynamic headspace, Hansen et al., 1995) |
| Dielektrizitätskonstante | 1.9(20℃) |
| Stabilität | Stable. Incompatible with oxidizing agents, chlorine, phosphorus. Highly flammable. Readily forms explosive mixtures with air. |
| Hauptanwendungen | microbiology |
| Kosmetik-Inhaltsstoffe Funktionen | SOLVENT |
| InChI | 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 |
| InChIKey | IMNFDUFMRHMDMM-UHFFFAOYSA-N |
| SMILES | CCCCCCC |
| LogP (Verteilungskoeffizient) | 4.660 |
| Oberflächenspannung | 21.12mN/m at 293.15K |
| CAS Datenbank | 142-82-5(CAS DataBase Reference) |
| NIST chemische Informationen | Heptane(142-82-5) |
| EPA chemische Informationen | Heptane (142-82-5) |
| Absorption | 0.10 at 225nm0.40 at 210nm1.0 at 197nm |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: HeptaneRegulation (EC) No 178/2002 (amended)Heptane is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Heptane 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: 09-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14228Heptane: HSNO Approval: HSR001164 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | FLAMMABLE. Flashback along vapor trail may occur. Vapor may explode if ignited in an enclosed area. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Vapour/air mixtures are explosive. |
| Brandpotenzial | Highly flammable liquid and vapor. |
| Gesundheitsgefahren | VAPOR: Not irritating to eyes, nose or throat. If inhaled, will cause coughing or difficult breathing. LIQUID: Irritating to skin and eyes. If swallowed, will cause nausea or vomiting. (USCG, 1999)CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. |
| DOT-Nummer und Handbuch | 1206 128 |
| Reaktive Gruppe | Hydrocarbons, Aliphatic Saturated |
| EG-Einstufung | Symbol: F, Xn, NR: 11-38-50/53-65-67S: (2)-9-16-29-33-60-61-62Note: C |
| UN-Einstufung | UN Hazard Class: 3UN Pack Group: II |
| TSCA-Anforderungen | Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 1/26/94Reporting date: 3/28/94.Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Heptane is included on this list. Effective date: 1/26/94Sunset date: 6/30/98. |
| Reactivity Alerts | Highly Flammable |
| OSHA Standards | Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 500 ppm (2000 mg/cu m).Vacated 1989 OSHA PEL TWA 400 ppm (1600 mg/cu m)STEL 500 ppm (2000 mg/cu m) is still enforced in some states. |
| Brandbekämpfung | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:Use alcohol-resistant foam, dry powder, carbon dioxide, water spray. In case of fire: keep drums, etc., cool by spraying with water. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest. Refer for medical attention.Rinse and then wash skin with water and soap. Refer for medical attention if skin irritation occurs.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Give nothing to drink. Do NOT induce vomiting. Refer immediately for medical attention. |
| Freisetungsmaßnahmen | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| Erste Hilfe | Excerpt from NIOSH Pocket Guide for n-Heptane:General First Aid:(General first aid procedures) |
| Sichere Lagerung | Fireproof. Separated from strong oxidants. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing. |
| Firefighting Hazards | The vapor is heavier than air and may travel along the grounddistant ignition possible. As a result of flow, agitation, etc., electrostatic charges can be generated. |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA).500.0 [ppm] |
| Brandbekämpfungsverfahren | For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires, apply water from as far as possible. Use very larg quantities (flooding) of water applied as a mist or spraysolid streams of water may be ineffective. Cool all affected containers with flooding quantities of water.In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. Use water spray to cool unopened containers. |
| Lagerbedingungen | Fireproof. Separated from strong oxidants. Store in an area without drain or sewer access. |
| Reinigungsverfahren | Collect leaking liquid in sealable containers... Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer. Personal protection: filter respirator for organic gases and vapors adapted to the airborne concentration of the substance. |
| Freisetung ohne Brand | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Entsorgungsverfahren | SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material.The following wastewater treatment technologies have been investigated for heptane: Biological treatment. |
| Körperbelastung | n-Heptane was detected in 7 of 12 samples of mothers breast milk from the cities of Bayonne, NJJersey City, NJBridgeville, PAand Baton Rouge, LA(1). n-Heptane has also been detected in mother's milk collected from Pittsburgh, PA(2). The concentrations of n-heptane in the samples from these studies were not reported(SRC). |
| Treatment | Treatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. (A600) |
| Zielorgane | Skin, respiratory system, central nervous system |
| Gesundheitliche Auswirkungen | Petroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. (A600, L1297) |
| Ökotoxizitätswerte | LC50Species: Chaetogammarus marinus /amphipod/Concentration: 0.2 mg/L for 96 hr /Conditions of bioassay not specified in source examined/Species: Mysidopsis bahia (Opossum shrimp)Concentration: 0.1 mg/L for 96 hr /Conditions of bioassay not specified in source examined/Species: Carassius auratus (Goldfish)Concentration: 4 mg/L for 24 hr /Conditions of bioassay not specified in source examined/Species: Leuciscus idus melanotus (Golden orfe)Concentration: 2940 mg/L for 48 hr /Conditions of bioassay not specified in source examined/ /formulated product/For more Ecotoxicity Values (Complete) data for n-Heptane (9 total), please visit the HSDB record page. |
| Umweltverhalten | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 240(SRC), determined from a structure estimation method(2), indicates that n-heptane is expected to have moderate mobility in soil(SRC). Volatilization of n-heptane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.8 atm-cu m/mole(SRC), based upon its vapor pressure, 46 mm Hg(3), and water solubility, 3.4 mg/L(4). n-Heptane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 46 mm Hg at 25 °C(3). A 101% of theoretical BOD using activated sludge in the Japanese MITI test(5) suggests that biodegradation is an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 240(SRC), determined from a structure estimation method(2), indicates that n-heptane is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.8 atm-cu m/mole(SRC), derived from its vapor pressure, 46 mm Hg(4), and water solubility, 3.4 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2.9 hours and 4.0 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 550(SRC), from its log Kow of 4.66(7) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is high(SRC). A 101% of theoretical BOD using activated sludge in the Japanese MITI test(9) suggests that biodegradation is an important environmental fate process in water.ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-heptane, which has a vapor pressure of 46 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-heptane is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 2.2 days(SRC), calculated from its rate constant of 7.15X10-12 cu cm/molecule-sec at 25 °C(3). n-Heptane does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC). |
| Lebensmitteluntersuchungswerte | The concentration of n-heptane measured in the volatile components of duck meat, duck fat, cantonese style roasted duck, and cantonese style roasted duck gravy were 1.34, 3.47, 17.29, and 6.51 ppb on a wet basis, respectively(1). n-Heptane was identified (unspecified concentrations) in both the noncondensable volatile fraction and in the condensable lipid fraction headspace of raw beef(2). n-Heptane has been detected in dry-cured hams at different stages of the manufacturing processhowever, the concentrations were not specified(3). n-Heptane was identified as a volatile component of fried bacon(4), roasted filberts(5) and nectarines(6). n-Heptane has been detected (unspecified concentrations) in boiled Chinese Chestnuts(7). n-Heptane has been identified in headspace samples of heated peanut oil(8). n-Heptane has been detected in the headspace of floured chickpea seed(9). |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndromeCompound with “poor evidence” of ototoxicity (it is a questionably ototoxic substance). |
| Expositionspfade | The substance can be absorbed into the body by inhalation of its vapour and by ingestion.inhalation, ingestion, skin and/or eye contactOral (T29)inhalation (T29)dermal (T29) |
| Milk Concentrations | n-Heptane was detected in 7 of 12 samples of mothers breast milk from the cities of Bayonne, NJJersey City, NJBridgeville, PAand Baton Rouge, LA(1). n-Heptane has also been detected in mother's milk collected from Pittsburgh, PA(2). The concentrations of n-heptane in the samples from these studies were not reported. |
| Toxizitätsübersicht | Petroleum distillates are central nervous system depressants and cause pulmonary damage. (A600) |
| Ökotoxizitätsauszüge | /AQUATIC SPECIES/ Young Coho salmon /Oncorhynchus kisutch/: no significant mortalities when applied in amounts up to 100 ppm, after 96 hr in artificial sea water at 8 °C |
| F | 3-10 |
| Berufliche Expositionsstufe (OEB) | A |
| Arbeitsplatzgrenzwert (OEL) | TWA: 85 ppm (350 mg/m3), Ceiling: 440 ppm (1800 mg/m3) [15-minute] |
| Wassergefährdungsklasse (WGK) | 3 |
| Sofort lebensgefährliche Konzentration | 750 ppm |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1206 |
| Zollcode | 29011000 |
| RTECS-Nr. | MI7700000 |
| R-Sätze (R) | 11-38-50/53-65-67 |
| Toxizität | LC (2 hr in air) in mice: 75 mg/l (Lazarew) |
| Gefahrensymbole | F,Xn,N |
| Sicherheitshinweise (S) | 9-16-29-33-60-61-62-23 |
| Gefahrenklasse | 3Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 142-82-5(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 433 °F |
Anwendungen & Verwendung
Verwenden
heptane is a solvent and viscosity-decreasing agent.