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1-ヘプタノール

Heptanol

HCID 8129
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
111-70-6
標準SMILES
CCCCCCCO
InChIKey
BBMCTIGTTCKYKF-UHFFFAOYSA-N
分子式
C7H16O
平均分子量
116.2 g/mol
単同位体質量
116.12011513

概要

Watery colorless liquid with a weak alcohol odor. Floats on water. (USCG, 1999)

名称と識別子

優先名称
Heptanol
IUPAC
heptan-1-ol
現地名
1-ヘプタノール
英語名
1-Heptanol
分子式
C7H16O
分子量
116.2

名称と別名

1-HEPTANOLHeptan-1-olHeptyl alcoholHeptanoln-HeptanolEnanthic alcoholHydroxy heptaneHexyl carbinolC7 alcoholHydroxyheptanePri-n-heptyl alcoholHeptyl alcohol, primary
名称をさらに表示
1-ヘプタノールN-ヘプチルアルコールエナントアルコール1ヘプタノルヘプチルアルコ-ル1‐ヘプタノールN‐ヘプチルアルコールヘプタン-1-オールヘプチルアルコール1-ヘプタノール,ヘプチルアルコールEnantholFEMA 2548ALCOHOL C71-HeptanoIn-Heptan-1-ol1-Heptanol 98%
1-heptyl alcoholFEMA Number 2548Heptyl alcohol (natural)DTXSID8021937HSDB 1077heptanol-1HEPTYL ALCOHOL, N-EINECS 203-897-9

データベース識別子

CAS
111-70-6、53535-33-4
PubChem CID
8129
DTXSID
DTXSID8021937
ChEMBL
CHEMBL273459
ChEBI
CHEBI:43003
UNII
8JQ5607IO5
EC Number
203-897-9、258-615-7
Nikkaji
J2.457K

物性

構造計算による物性補完中

XLogP
2.7
極性表面積
20.2 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
5
重原子数
8
形式電荷
0
複雑度
35.4

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Heptyl alcohol) -> IFRA transparency List
LogP · 4 件

Log Kow = 2.62

2.62

2.62

2.57

Odor · 2 件

Fragrant

FAINT, AROMATIC, FATTY

TastePUNGENT, SPICY TASTE
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 6 件

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

0.8219 at 20 °C/4 °C

0.82 g/cm³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.01

0.820-1.824

0.824 @ 20°C

Flavoring AgentsEU Flavoring substances

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

Warning

H319 (94.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 1619 reports by companies from 10 notifications to the ECHA C&L Inventory.

Warning

H227: Combustible liquid [Warning Flammable liquids]

危険有害性情報

Regulatory Information · 5 件

Chemical: 1-Heptanol

1-Heptanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Heptanol 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)

REACH registered substance: Heptan-1-ol (EC: 203-897-9)

1-Heptanol: Does not have an individual approval but may be used under an appropriate group standard

Heptanol: 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.

Other Safety InformationIMAP assessments - Primary aliphatic alcohols (C7, C8): Human health tier II assessment
DOT LabelPoison
Fire Hazards · 2 件

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Combustible. Above 70 °C explosive vapour/air mixtures may be formed.

Fire PotentialFire hazard moderate when exposed to heat of flame; can react with oxidizing materials.
Health HazardsLow toxicity; liquid may irritate eyes. (USCG, 1999)

化学と産業

薬理情報

Mechanism of Action · 4 件

... The epicardial surface of 12 isolated-perfused canine left atria was optically mapped before and after 1-50 microM heptanol infusion. At baseline, no sustained (>30 s) AF could be induced in any of the 12 tissues. However, after 2 microM heptanol infusion, sustained AF was induced in 9 of 12 tissues (P < 0.001). Heptanol >5 microM caused loss of 1:1 capture during rapid pacing, causing no AF to be induced. ... Heptanol at 2 microM had no effect on the cellular action potential duration restitution or on the maximal velocity rate over time of the upstroke. The effects of heptanol were reversible.

... The experiments investigated the effects of heptanol on isolated Langendorff-perfused rabbit hearts. Heptanol inhibited both pressure generation and electrical conduction. These effects were completely reversible ... Low concentrations of heptanol (less than 0.3 mM) caused small but significant increases in the delay between the stimulus (delivered to the basal septum) artifact and local activation of the left ventricle, as measured from bipolar electrogram (BEG) recordings. There was a steep increase in the latency between stimulus and left-ventricular activation at concentrations of heptanol above 0.3 mM ... Heptanol decreased repolarization duration, measured from the activation recovery interval (ARI) of BEGs, and monophasic action potential duration at 70% repolarization (MAPD70). Heptanol also reduced left-ventricular developed pressure (LVDP), and the maximum rates of contraction and relaxation of the left ventricle; these effects were concentration dependent and reversible. Changes in ARIs, LVDP and the maximum rates of change of pressure lacked the steep response to 0.3 to 1.0 mM heptanol shown by the latency ... During premature stimulation protocols arrhythmias could be induced in hearts perfused with 0.1 to 0.3 mM heptanol but not at higher concentrations.

... Incubation of n-heptane with microsomal extracts resulted in formation of four isomeric n-heptanols. The relationship of the hydroxylating process to protein concentration and to the formation of the three main alcoholic products, namely 1-heptanol (111706), 2-heptanol (543497), and 3-heptanol (589822), were linear up to 1mg/4 minutes. Treatment of rats with phenobarbitol (50066) for 2 days enhanced hydroxylation and formation of 2-heptanol, 3-heptanol and 4-heptanol about 4 fold, but 1-heptanol was increased only 60 percent. In contrast, 3,4-benzpyrene depressed the formation of 1-heptanol to about 70 percent and increased the formation of 3-heptanol and 4-heptanol slightly. Carbon-monoxide inhibited formation of 1-heptanol. Similar results were obtained with metyrapone.

関連反応

87 件
反応記録を作成
HRID 18036 の反応式
HRID 18036溶媒としてuspto-grants-2010_06
HRID 41746 の反応式
HRID 41746反応物としてuspto-grants-2013_09
HRID 62569 の反応式
HRID 62569溶媒としてuspto-grants-2016_09
HRID 84205 の反応式
HRID 84205反応物としてuspto-grants-2014_09
HRID 143007 の反応式
HRID 143007反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 143054 の反応式
HRID 143054反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 167363 の反応式
HRID 167363反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 168755 の反応式
HRID 168755反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
1 / 11 ページ

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
Viscosity
7.4 centapoise at 20 °C
Color/FormColorless liquid

物理化学的性質

融点
-36 °C · -36 °C (lit.)
沸点
176 °C · 176 °C (lit.)
比重(密度)
0.822 g/mL · 0.822 g/mL at 25 °C (lit.)
蒸気圧
0.5 mm · 0.5 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.424(lit.)
FEMA
2548 · 2548 | HEPTYL ALCOHOL
闪点
165 °F · 165 °F
貯蔵温度
30 °C · Store below +30°C.
溶解性
1 g/リットル · 1g/リットル
外見
液体
酸解離定数(Pka)
15.38 · 15.38±0.10(Predicted)
色
クリア
臭い (Odor)
弱いアルコール依存症。
臭気閾値(Odor Threshold)
0.0048 ppm · 0.0048ppm
においのタイプ
緑
由来生物
synthetic
爆発限界(explosive limit)
0.9 % · 0.9%(V)
水溶解度
2.85 g/L · 2.85g/L(100℃)
比熱容量
2.34 J/ · Cp(liquid): 2.34 J/(g·K), at 25℃
JECFA Number
94 · 94
Merck
14 · 14,4661
BRN
1731686 · 1731686
Henry's Law Constant
5.3 · 5.3×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant
6.7 · 6.7(21℃)
安定性
安定。可燃性。強酸、強酸化剤とは相容れない。
主な用途
洗浄剤化粧品環境フレーバーそして香料食品および飲料パーソナルケア
化粧品成分の機能
香料
InChI
1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey
BBMCTIGTTCKYKF-UHFFFAOYSA-N
SMILES
CCCCCCCO
LogP
2.2 at · 2.2 at 20℃
表面張力
26.47 mN/m · 26.47mN/m at 298.15K
CAS データベース
111 · 111-70-6(CAS DataBase Reference)
NISTの化学物質情報
1 · 1-Heptanol(111-70-6)
EPAの化学物質情報
1 · 1-Heptanol (111-70-6)

化学的性質

化学的特性ヘプタノールは化学式でC7H16OまたはCH3CH26OHと表される有機化合物ですこれは一般的にアルコール類に分類され特に7つの炭素原子を含むことからヘプチルアルコールとも呼ばれますヘプタノールはその構造により溶媒や化学合成の中間体として広く使用されています

化学性质ヘプタノールは無色の液体でありわずかに油っぽくアルコール特有の臭いがあります沸点は大体175°C〜177°C程度です可燃性が高く空気との混合は爆発性があるため取り扱いには注意が必要です水にはあまり溶けずしかし有機溶剤とは良好に混和します

Hazards Summary · 1 件

A skin, eye, and respiratory tract irritant; Inhalation of high concentrations may cause CNS effects; [HSDB] Inhalation of high concentrations can cause CNS depression; [CHEMINFO] Defats the skin; May cause effects on the central nervous system; [ICSC] An irritant; May be absorbed through skin; [MSDSonline]

FDA Requirements · 1 件

Heptyl 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.

Reactive GroupAlcohols and Polyols
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: III
Special Reports · 1 件

OPDYKE DL J; MONOGRAPHS ON FRAGRANCE RAW MATERIALS. ALCOHOL C-7; FOOD COSMET TOXICOL 13 (SUPPL): 697 (1975). NATURAL OCCURRENCE & PREPN, COSMETIC & PERFUME USE, LEGAL STATUS FOR USE IN FOOD, & METABOLISM & TOXICOLOGY OF ALCOHOL C-7 ARE REVIEWED WITH 16 REFERENCES.

Reactivity Profile · 1 件

HEPTANOL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

安全と保護具

Fire Fighting · 2 件

Fire Extinguishing Agents: Foam, carbon dioxide, or dry chemical (USCG, 1999)

Use alcohol-resistant foam. Use dry powder. Use carbon dioxide.

First Aid Measures · 4 件

Fresh air, rest.

Remove contaminated clothes. 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. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer for medical attention .

First AidFlush all affected parts with plenty of water. (USCG, 1999)
Safe StorageSeparated from strong acids, oxidants and food and feedstuffs.
Fire Fighting Procedures/To fight fire use/ alcohol foam, carbon dioxide, dry chemical.
Storage ConditionsSeparated from strong acids, oxidants, food and feedstuffs.
Cleanup Methods · 2 件

AEROBIC: 1-Heptanol degrades fast in aerobic biodegradation screening tests(1-5). In a 5-day BOD test using acclimated mixed cultures, 56.3% of theoretical BOD was consumed(1). Other tests show 30% of theoretical BOD was expended in 5 days(2) and 28.9% of theoretical BOD was expended in 1 day using 500 ppm of 1-heptanol and an activated sludge inoculum(3). An aerobic biodegradation rate constant of 0.124 1/hr(4), which corresponds to a half-life of 0.23 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 2.53X10-2 1/hr(5), which corresponds to a biodegradation half-life of 1.14 days(SRC).

Do NOT let this chemical enter the environment. Cover the spilled material with absorbent. Collect leaking liquid in sealable containers.

Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Disposal Methods · 1 件

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.

Spillage Disposal · 1 件

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Cover the spilled material with inert absorbent. Collect leaking and spilled liquid in sealable containers as far as possible.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Eye PreventionWear safety goggles.

毒性情報

Body Burden · 1 件

Of the expired air from an urban population of 54 normal, healthy, nonsmoking subjects (387 samples), 39.5% were positive for 1-heptanol, containing a geometric mean concn of 3.9 ng/L(1). The one-sigma limits were 1.86 and 8.2 ng/L. Besides being carefully selected, subjects refrained from medication for 14 days prior to sampling and for 7 days prior to sampling avoided prolonged exposure to perfume, paint, glue, aerosols, dust, tobacco smoke, or areas polluted with industrial waste.

Ecotoxicity Values · 5 件

LC50 Nitocra spinipes (Harpacticoid copepod) 169 mg/L/96 hr /Conditions of bioassay not specified in source examined/

LC50 Alburnus alburnus (Bleak) 45 mg/L/96 hr /Conditions of bioassay not specified in source examined/

LC50 Xenopus laevis (African clawed frog, 3-4 wk after hatching) 44 mg/L/48 hr /Conditions of bioassay not specified in source examined/

LC50 Ambystoma mexicanum (Mexican axolotl, 3-4 wk after hatching) 52 mg/L/48 hr /Conditions of bioassay not specified in source examined/

For more Ecotoxicity Values (Complete) data for 1-HEPTANOL (21 total), please visit the HSDB record page.

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 74(SRC), determined from a water solubility of 1670 mg/L(2) and a regression-derived equation(3), indicates that 1-heptanol is expected to have high mobility in soil(SRC). Volatilization of 1-heptanol from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 1.88X10-5 atm-cu m/mole(4). 1-Heptanol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.216 mm Hg(5). 1-Heptanol has been demonstrated to be readily biodegradable in aerobic screening tests(6-10) and therefore should biodegrade in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 74(SRC), determined from a water solubility of 1670 mg/L(2) and a regression-derived equation(3), indicates that 1-heptanol is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1.88X10-5 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 2.2 days and 20 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 21(SRC), from its log Kow of 2.62(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 1-Heptanol has been demonstrated to be readily biodegradable in aerobic screening tests(8-12) and therefore should biodegrade in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-heptanol, which has a vapor pressure of 0.216 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-heptanol 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 28 hours(SRC), calculated from its rate constant of 1.36X10-11 cu cm/molecule-sec at 25 °C(3).

Food Survey Values · 1 件

1-Heptanol is a food volatile found in meat and seafood such as raw beef(1), frankfurters(2) fried bacon(3), duck(4), raw and roasted earth almonds (Cyperus esculentus L.)(5), clams(6), and short-necked clams(6). It has been identified as a volatile of nectarines(7), chickpeas(8), Kogyoku apples(9), peanut oil(10), and champagne(11). 1-Heptanol has also been identified as an aroma component of Beaufort (Gruyere) cheese(12). Fermented soybean (Glycine max) curds were found to contain 275.7 ug/kg of 1-heptanol(13).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour and by ingestion.
Milk Concentrations1-Heptanol was detected, not quantified in store bought milk in Australia(1).
Ecotoxicity Excerpts · 1 件

/AQUATIC SPECIES/ /In flow through acute toxicity testing using Pimephales promelas (Fathead minnow) exposed to concentrations of 0, 12.5, 19.3, 29.7, 45.7, and 70.3 mg/L 1-heptanol for 96 hr,/ affected fish lost schooling behavior and were hypoactive. Half of the affected fish were located at the surface and the other half on the bottom of the aquaria. They were underreactive to external stimuli, darkly colored, and they lost equilibrium prior to death.

Plant Concentrations1-Heptanol was identified as a volatile component of earth almonds (Cyperus esculentus L.)(1), nectarines(2), Kogyoku apples(3) and kiwi fruit flowers(4). 1-Heptanol has been identified as a volatile emission from dawn redwood trees(5).
Signs and Symptoms · 4 件

Cough. Sore throat.

Redness.

Redness. Pain.

Burning sensation. Headache. Dizziness. Nausea. Drowsiness.

Effluent Concentrations · 1 件

1-Heptanol was detected in concentrates of effluent from advanced treatment plants in Pomona, CA(1). Emissions of 1-heptanol, in percent of total carbon emission, were identified in roadway emissions (0.02), bus parking garage, hot soak (0.54), bus parking garage, cold start (0.12), motorcycle emissions (0.01), petroleum refinery emissions (0.05), lead smelter (0.36), and cast iron factory emissions (0.23) in Cairo, Egypt(2). 1-Heptanol was detected but not quantified in the emissions of waste exudate(3) and kitchen waste exudate(4).

ICSC Environmental DataThe substance is harmful to aquatic organisms.

法規制情報

FDA Requirements · 1 件

Heptyl 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.

安全データ

wgk
1
tsca
TSCA listed
rtecs
MK0350000
ridadr
2810
毒性
LD50 orally in Rabbit: 500 mg/kg LD50 dermal Rabbit 2000 mg/kg
hs_code
29051900
risk_code
20/21/22-36-52
化審法
(2)-217
消防法
危-4-3-III
hazard_code
Xn,Xi
safety_code
36-36/37/39-26
hazard_class
6.1(b)
packing_group
III
自然発火温度
662 °F
Hazard Classifications
Aquatic Chronic 3Eye Irrit. 2
ストレージクラス
10 - Combustible liquids
有毒物質データの
111-70-6(Hazardous Substances Data)

... Heptanol caused a significant growth inhibition of Xenopus tadpoles and the median lethal dose and mean teratogenic effect at 120 hours were 1.49 and 0.37 millimolar, respectively. The teratogenic index of 4.03 suggested that heptanol is a strong teratogen.

Metabolism/Metabolites · 1 件

1-Heptanol is primarily oxidized in the rabbit to heptanoic acid, which either undergoes further oxidation to CO2 or forms an ester glucuronide. There is also a lesser metabolic pathway using direct conjugation with glucuronic acid to form an ether glucuronide conjugate.

Absorption, Distribution and ExcretionThe dermal flux for 1-heptanol in human skin (epidermis) in vitro is 0.021 mg/sq cm/hr.
Cellular LocationsExtracellular

用途と製造

Uses · 5 件

Used as an organic intermediate, solvent, and additive in cosmetics, fragrances, and flavoring agents; [HSDB]

In the United States, practically the whole production is processed further to phthalates or adipates, used as plasticizers. ... The alcohol mixtures are used as solvents or solubilizers in the paint and printing ink sector, as components in textile auxiliaries and pesticides, for hormone extraction, and in the surfactant field as foam boosters or antifrothing agents. /C7 alcohol mixtures/

Food additive

Org intermediate, solvent, cosmetic formulations

/1-Heptanol/ has little commercial value except in fragrances and as an artificial flavoring agent.

U.S. Production · 6 件

2023: 250,000 - <550,000 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).

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

(1994) >1 million-10 million pounds

(1998) >10 thousand-500 thousand pounds

(2002) >500 thousand-1 million pounds

Consumption PatternsApproximately 70-80% are processed into plasticizers.
Industry UsesIntermediate
Methods of Manufacturing · 4 件

Prepared from heptaldehyde by reduction with iron filings in dilute acetic acid. ... Other methods include reaction between pentane and ethylene oxide in presence of anhydrous aluminum bromide: I.G. Farbenind., French patent 716,604 ... and action of amyl magnesium bromide on ethylene oxide.

By reduction of enanthic aldehyde, which is a distillation product of castor oil.

From 1-hexene by oxo synthesis.

1-Heptanol is made by the oxo process by reacting hexenes with carbon monoxide ...

Formulations/Preparations · 3 件

C7 alcohol isomeric mixtures

C7-C9-C11 alcohol isomeric mixtures

C7-C8-C9 alcohol isomeric mixtures

Use Classification · 5 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 6 件

All Other Basic Organic Chemical Manufacturing

1-Heptanol: ACTIVE

Heptanol: ACTIVE

Reported found in a few essential oils: hyacinth, violet leaves, Litsea zeylanica.

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-heptanol/, and the mixtures are called "-yl alcohol /eg, heptyl alcohol/ or "iso ... yl alcohol" /eg, isoheptyl alcohol/.

/Used in/ non-alcoholic beverages 4.14 ppm; ice cream, ices, etc 5.28 ppm; candy 4.38 ppm; baked goods 11.22 ppm.

応用分野 · 5 件

解説C7H16O(116.20).CH3(CH2)5CH2OH.1-ヘプタノールともいう.炭素数7の脂肪族飽和アルコールで,直鎖状,末端炭素にヒドロキシ基をもつものをいう.工業的には,エテンをチーグラー触媒で三量化してヘキセンとし,これをオキソ合成でヘプチルアルコール(異性体混合物)に変換すると得られる.無色の液体.融点-34.0 ℃,沸点176.2 ℃.d254 0.8191.n25D 1.4223.エタノール,エーテルに可溶,水に微溶.ヘプチルアルコールは,ソフト型合成洗剤,界面活性剤,可塑剤,医薬品,化粧品などの合成原料として用いられる.森北出版「化学辞典(第2版)

用途有機合成原料、溶剤。

用途化粧品用溶剤、有機合成用溶剤にもちいられるほか、カーネーションやジャスミンの花の香りなどにも使われる。

説明Heptyl alcohol has a faint, aromatic, fatty odor and a pungent, spicy taste. It may be synthesized by reduction of enanthic aldehyde, which is a distillation product of castor oil.

天然物の起源Reported found in a few essential oils, hyacinth, violet leaves, Litsea zeylanica Also reported found in apple, banana, citrus peel oils, orange juice, bilberry, cranberry, blueberry, other berries, currants, melon, papaya, peach, pear, pineapple, asparagus, peas, potato, mustard, cheeses, butter, milk, meats, hop oil, beer, cognac, rum, bourbon whiskey, grape wines, cocoa, tea, flberts, pecans, peanuts, soybeans, passion fruit juice, olive, macadamia nuts, mango, tamarind, fgs, cardamom, rice, calamus, dill, corn, malt, kiwifruit, truffe, nectarine, crab, crayfsh, clams and other sources

調製方法 · 3 件

1-Heptanol is produced by reacting hexenes with carbon monoxide in the oxo process or by the catalytic reduction of heptaldehyde. It has little commercial value except in fragrances and as an artificial flavoring agent.

製造方法By reduction of enanthic aldehyde, which is a distillation product of castor oil.

純化方法Shake the alcohol with successive lots of alkaline KMnO4 until the colour persists for 15minutes, then dry it with K2CO3 or CaO, and fractionally distil it. [Beilstein 1 IV 1731.]

上流・下流製品情報

上流原料

Iron filingsヘプタナールペンタン

下流製品

1-ヨードヘプタンpotassium ω-hydroperfluroheptylateイソ酪酸ヘプチル5-メチル-3-ヘプタノンカプリル酸ヘプチルぎ酸ヘプチル酪酸ヘプチル4-ヒドロキシ安息香酸 n-ヘプチルエナント酸ヘプチル3-デセン-2-オン1-ヘプテンヘプタン酸メチル [標準物質]ヘプチルアミン3-ヘプタノールカルバミド酸ヘプチルDI-N-HEPTYL MALONATE