正己醇

log Kow = 2.03

2.03

2.03

FATTY, FRUITY

AROMATIC FLAVOR

0.85 at 68 °F (USCG, 1999) - Less dense than water; will float

0.8153 at 25 °C/4 °C; 0.8082 at 35 °C/4 °C

Bulk density = 6.8 lb/gal

Relative density (water = 1): 0.82

0.816-0.821

0.8204 @ 20°C

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Warning

H226 (34.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Chemical: 1-Hexanol

Chemical: Hexanol

1-Hexanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexanol 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: 22-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13265

1-Hexanol: HSNO Approval: HSR001167 Approved with controls

Hexanol: 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.

Flammable Liquid

Flammable Liquid

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Combustible. Above 63 °C explosive vapour/air mixtures may be formed.

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Liquid causes eye burns and skin irritation. Breathing vapors is not expected to cause systemic illness. (USCG, 1999)

· May cause toxic effects if inhaled or absorbed through skin.

May cause first degree burns after short exposure and second degree burns after longer contact; [CHRIS] Undiluted 1-Hexanol is a mild irritant. Application of 0.2 ml to 27-28 volunteers caused no noticeable skin effects. 1-Hexanol caused corneal burns from which patients recovered within 48 hours. Ingestion can lead to symptoms of alcohol intoxication. [CHEMINFO]

Hexyl alcohol is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

Alcohols and Polyols

Alcohols and Polyols

As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA, as amended in 1988, were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. Hexanol is found on List D. Case No: 4004; Pesticide type: Insecticide, Herbicide; Case Status: OPP is reviewing data from the pesticide's producers regarding its human health and/or environmental effects, or OPP is determining the pesticide's eligibility for reregistration and developing the Reregistration Eligibility Decision (RED) document.; Active ingredient (AI): Hexanol; AI Status: The active ingredient is no longer contained in any registered pesticide products ... "cancelled."

Residues of n-hexyl alcohol are exempted from the requirement of a tolerance when used as a solvent, cosolvent in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.

Residues of n-hexyl alcohol are exempted from the requirement of a tolerance when used as a solvent, cosolvent in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals.

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Use alcohol-resistant foam, dry powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink.

· 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.

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

In case of contact, immediately flush skin and eyes with plenty of water. Wash eyes at least 15 min. and get medical care. (USCG, 1999)

General First Aid:

· Wear positive pressure self-contained breathing apparatus (SCBA).

240.0 [ppm]

Use carbon dioxide, dry chemical or "alcohol" foam extinguisher. Water is ineffective to fire fighting, but is effective to keep fire-exposed containers cool.

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, carbon dioxide or dry chemical. Keep run off water out of sewers and water sources.

Absorb on paper. Evaporate on a glass or iron dish in hood. Burn the paper.

AEROBIC: 5-Day theoretical BODs of 28%(1), 53% (initial concn of 100 ppm)(2) and 83.6% (initial concn of 2,000 ppm)(3) were observed for 1-hexanol in aerobic screening tests using a sewage inocula. An aerobic biodegradation rate constant of 7.99X10-2 1/hr(4), which corresponds to a half-life of 0.36 days(SRC), was determined in an aerobic screening test at pH 7 and 25 °C using an activated sludge inocula. In a similar screening test, the rate constant was measured to be 1.7X10-2 1/hr(5), which corresponds to a biodegradation half-life of 1.7 days(SRC).

ANAEROBIC: Anaerobic biodegradation studies show 1-hexanol degradation rates of 75%(1) and 83%(2) in 7 days at 37 °C using a synthetic sewage inocula.

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Spray into the furnace. Incineration will become easier by mixing with a more flammable solvent.

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in covered containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

LC50 Pimephales promelas (Fathead minnow, weight 0.12 g) 97.5 mg/L 96 hr flow-through bioassay, water hardness 45.5 mg/L CaCO3, temp: 25 +/- 1 °C, pH 7.5, dissolved oxygen >60% of saturation.

LC50 Alburnus alburnus (Bleak) 120 mg/L/96 hr /Conditions of bioassay not specified in source examined/

LC50 Nitocra spinipes (Harpacticoid copepod) 317 mg/L/96 hr /Conditions of bioassay not specified in source examined/

LC50 Leuciscus idus (Golden orfe) 130 mg/L/48 hr /Conditions of bioassay not specified in source examined/

For more Ecotoxicity Values (Complete) data for 1-HEXANOL (7 total), please visit the HSDB record page.

TERRESTRIAL FATE: Based on a classification scheme(1), a measured Koc value of 10.2(2), indicates that 1-hexanol is expected to have very high mobility in soil(SRC). Volatilization of 1-hexanol from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 1.71X10-5 atm-cu m/mole(3). 1-Hexanol is expected to volatilize slowly from dry soil surfaces(SRC) based upon a vapor pressure of 0.928 mm Hg(4). Biodegradation studies show that 1-hexanol is expected to degrade rapidly in both aerobic and anaerobic conditions(5-11). 1-Hexanol has aerobic, measured biodegradation half-lives of 0.36(8) and 1.7 days(9). Anaerobic, seven day biodegradation rates of 75%(10) and 83%(11) were measured for 1-hexanol. These rates suggest that biodegradation may be an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), a Koc value of 10.2(2), indicates that 1-hexanol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1.71X10-5 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2 days and 20 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 21(SRC), from its log Kow of 2.03(6) and regression-derived equations(7), suggest the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation studies show that 1-hexanol is expected to degrade rapidly in both aerobic and anaerobic conditions(8-14). 1-Hexanol has aerobic, measured biodegradation half-lives of 0.36(11) and 1.7 days(12). Anaerobic, seven day biodegradation rates of 75%(13) and 83%(14) were measured for 1-hexanol.

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-hexanol, which has a vapor pressure of 0.928 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-hexanol 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 1.3 days(SRC), calculated from its rate constant of 1.71X10-5 cu cm/molecule-sec at 25 °C(3).

1-Hexanol was identified as 0.4 percent of all volatile components detected in mature kiwi fruit and 2 percent of all volatile components detected in ripe kiwi fruit(1). 1-Hexanol was identified as a volatile constituent of mature and overripe guava fruit at respective concns of 3,019.8 and 2,378.7 ug/kg(2). 1-Hexanol was found at a concn range of 50-180 ug/kg in volatile constituents of nectarines(3). 1-Hexanol was detected in the volatiles of dried legumes at a concn range of 2-69 ppb(4). 1-Hexanol was identified as a volatile component of garlic at a concn range of 0.08-0.23 ug/g garlic bulb(5). Fermented soybean (Glycine max) curds were found to contain 2886 to 3481 ug/kg of 1-hexanol(6).

1-Hexanol was identified as a volatile component of fried bacon(1), roasted filberts(2), raw and roasted earth almonds (Cyperus esculentus L.)(3), mutton(4), chicken(4), pork(4), cured ham(5), raw beef(4,6), frankfurters(7), chickpeas(8), Kogyoku apple(9), Beaufort (Gruyere) cheese(10) and in food products processed from the Cassava root(11). 1-Hexanol was also identified as a volatile component of edible Korean chamchwi (Aster scaber Thunb)(12) and in heated peanut oil(13). 1-Hexanol was qualitatively identified as a volatile constituent of clams, including short-necked clams(14).

/USED/ IN NON-ALCOHOLIC BEVERAGES AT 6.6 PPM; ICE CREAM, ICES, ETC 26 PPM; CANDY 21 PPM; BAKED GOOD 18 PPM; & GELATINS & PUDDINGS 0.22-0.28 PPM.

Cough. Sore throat.

Dry skin.

Redness. Pain.

Burning sensation.

1-Hexanol was qualitatively identified in effluents from a refinery in Illinois(1) and leachate from a waste disposal site in the Netherlands(2). 1-Hexanol was found in wastewater being discharged into the Calcasieu River (Louisiana) from a petrochemical company(3). 1-Hexanol was qualitatively detected in the headspace of 3 household products, including wax paste for leather conservation and finish, liquid floor wax, and liquid wax for ceramic floors(4). Emissions of 1-hexanol with ethylbenzene, in percent of total carbon emission, were identified in gasoline headspace, regular (0.18) and high grade (0.18), whole gasoline, regular (2.55) and high grade(3.15), roadway emissions (1.94), bus parking garage, hot soak (0.88), bus parking garage, cold start (1.05), motorcycle emissions (1.81), petroleum refinery emissions (0.50), lead smelter (0.40), and cast iron factory emissions (0.68) in Cairo, Egypt(5). 1-Hexanol was detected but not quantified in the emissions of waste exudate(6), lab waste headspace(6) and kitchen waste exudate(7).

REPORTED FOUND AMONG CONSTITUENTS OF SEVERAL ESSENTIAL OILS & AROMAS: APPLE, STRAWBERRY, TEA, VIOLET (LEAVES & FLOWERS), JAVA CITRONELLA, BOURBON GERANIUM, LAVENDER, LAVANDIN, SPIKE, LITSEA ZEYLANICA; ALSO IDENTIFIED IN BITTER ORANGE.

OCCURS AS ACETATE IN SEEDS & FRUITS OF HERACLEUM SPHONDYLIUM L & H GIGANTEUM FISCH, UMBELLIFERAE.

1-Hexanol is a fatty alcohol and is derived from natural fats, oils, and waxes from a number of animal(1), vegetable(1-3), fruit(4) and marine sources(1,8). 1-Hexanol is released to the atmosphere in emissions from vegetation(5-6). For example, the emission rate of hexanol from apples harvested from two orchards in August-October of 1990 ranged from 3.8-117.6 pico-L/kg-hr(7).

Hexyl alcohol is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA, as amended in 1988, were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. Hexanol is found on List D. Case No: 4004; Pesticide type: Insecticide, Herbicide; Case Status: OPP is reviewing data from the pesticide's producers regarding its human health and/or environmental effects, or OPP is determining the pesticide's eligibility for reregistration and developing the Reregistration Eligibility Decision (RED) document.; Active ingredient (AI): Hexanol; AI Status: The active ingredient is no longer contained in any registered pesticide products ... "cancelled."

Residues of n-hexyl alcohol are exempted from the requirement of a tolerance when used as a solvent, cosolvent in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.

Residues of n-hexyl alcohol are exempted from the requirement of a tolerance when used as a solvent, cosolvent in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals.

... Ethanol and 1-hexanol were found to have two competing concentration-dependent effects on the Ca(2+)- and phorbol ester- or diacylglycerol-dependent activities of PKCalpha associated with either RhoA or Cdc42, consisting of a potentiation at low alcohol levels and an attenuation of activity at higher levels. Measurements of the Ca(2+), phorbol ester, and diacylglycerol concentration-response curves for Cdc42-induced activation indicated that the activating effect corresponded to a shift in the midpoints of each of the curves to lower activator concentrations, while the attenuating effect corresponded to a decrease in the level of activity induced by maximal activator levels. The presence of ethanol enhanced the interaction of PKCalpha with Cdc42 within a concentration range corresponding to the potentiating effect, whereas the level of binding was unaffected by higher ethanol levels that were found to attenuate activity.

Through successive oxidation processes, 1-hexanol is converted to hexanoic acid, which then undergoes beta-oxidation.

1-Hexanol has a high affinity for ADH /alcohol dehydrogenase/, similar to amyl and n-octyl alcohol, and is a potent inhibitor of ethanol oxidation. 1-Hexanol is metabolized by direct conjugation with glucuronic acid and by oxidation to the carboxylic acid and eventually to carbon dioxide.

Metabolic studies in rabbits indicate that oxidation to hexanoic acid is the major pathway, mediated by alcohol dehydrogenase and aldehyde dehydrogenase. Direct conjugation with glucuronic acid is a minor pathway.

Agents capable of inducing a total or partial loss of sensation, especially tactile sensation and pain. They may act to induce general ANESTHESIA, in which an unconscious state is achieved, or may act locally to induce numbness or lack of sensation at a targeted site.

Drugs that bind to nicotinic cholinergic receptors (RECEPTORS, NICOTINIC) and block the actions of acetylcholine or cholinergic agonists. Nicotinic antagonists block synaptic transmission at autonomic ganglia, the skeletal neuromuscular junction, and at central nervous system nicotinic synapses.

The permeability of excised rat skin to 1-hexanol was increased by hydration for the first ten hours, then returned to baseline.

The in vitro dermal flux in human skin (epidermis) was reported to be 0.044 mg/sq cm/hr, indicating a low rate of dermal uptake.

Used to produce plasticizers, antiseptics, fragrances, pharmaceuticals, and finishing agents for textile and leather; Used as a flavoring agent and a solvent for fats, waxes, dyes, and paints; [CHEMINFO]

Painting (Solvents) [Category: Paint]

For 1-Hexanol (USEPA/OPP Pesticide Code: 079047) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

The active ingredient is no longer contained in any registered pesticide products ... "cancelled."

Synthetic flavoring ingredient

Pharmaceuticals (introduction of hexyl group into hyponics, antiseptics, perfume esters, etc), solvent, plasticizer, intermediate for textile and leather finishing agents.

Co-products of acetaldehyde-crotonaldehyde reaction /to produce hexanol/ are 1-decanol and 1-octanol.

The by-product of acetaldehyde-butyraldehyde aldolization /to produce hexanol/ is 2-ethyl-1-butanol.

Commercial plasticizer hexanol contains acidity (0.001% as acetic acid), carbonyl (<0.003 wt % oxygen), and 0.05% moisture

(1973) 3.12X10+8 GRAMS

(1975) 1.02X10+6 GRAMS

(1984) 2.93X10+8 G /HEXYL ALCOHOLS/

2023: 10,000,000 - <50,000,000 lb

This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

(1972) 7.40X10+9 GRAMS

(1974) 1.67X10+10 GRAMS

(1984) 1.28X10+11 G /ALCOHOLS C11 OR LOWER/

For more U.S. Production (Complete) data for 1-HEXANOL (9 total), please visit the HSDB record page.

Addition of ethylene to triethylaluminum followed by oxidation of the growth product, hydrolysis, and fractional distillation; from condensation of n-butyraldehyde and acetaldehyde, followed by dehydration and hydrogenation.

Laboratory preparation by action of butylmagnesium bromide on ethylene oxide ... 1,3-hexadienal with iron wire in presence of nickel acetate

Industrial preparation by reducing ethyl caproate with sodium in absolute alcohol: Bouveault, Blanc, German patent 164,294 (1903).

Reaction of acetaldehyde and crotonaldehyde followed by hydrogenation

For more Methods of Manufacturing (Complete) data for 1-HEXANOL (7 total), please visit the HSDB record page.

Grades: Technical (90-99%); purified (99.8%).

Blend of hexanol, 4%; octanol, 42%; decanol, 54%

Epal 610: C6 alcohol, 17 wt%; C8 alcohol, 36 wt%; C10 alcohol, 47 wt% /from table/

Epal 810: C6 alcohol, 1 wt%; C8 alcohol, 45 wt%; C10 alcohol, 54 wt% /from table/

For more Formulations/Preparations (Complete) data for 1-HEXANOL (6 total), please visit the HSDB record page.

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Cosmetics -> Surfactant; Hydrotrope; Solvent; Antifoaming

All Other Basic Organic Chemical Manufacturing

1-Hexanol: ACTIVE

Hexanol: ACTIVE

Commercial products from the family of 6 to 11 carbon alcohols that make up the plasticizer range are available both as ... pure single carbon chain materials and as complex isomeric mixtures. Commercial descriptions of plasticizer range alcohols are ... in general a ... pure material is called "-anol" /eg, 1-hexanol/, and the mixtures are called "-yl alcohol /eg, hexyl alcohol/ or "iso...yl alcohol" /isohexyl alcohol/.