데실 알코올

1-Decanol

HCID 8174CAS 112-30-1

기본 정보

표준 SMILES
CCCCCCCCCCO
InChIKey
MWKFXSUHUHTGQN-UHFFFAOYSA-N
분자식
C10H22O
평균 분자량
158.28 g/mol
단동위원소 질량
158.16706532

개요

Decyl alcohol appears as a clear colorless liquid with a sweet fat-like odor. Flash point 180 °F. Less dense than water and insoluble in water. Vapors are heavier than air.

이름 및 식별자

우선 이름
1-Decanol
IUPAC
decan-1-ol
현지명
데실 알코올
영어명
1-Decanol
분자식
C10H22O
분자량
158.28

이름 및 동의어

1-DECANOLDecan-1-olDecyl alcohol112-30-1n-Decyl alcoholn-DecanolCapric alcoholNonylcarbinolAntakRoyaltacCaprinic alcoholn-Decan-1-ol
이름 더 보기
1-데카놀데실알코올데실알코올1-데칸올1차 데킬 알코올C-10 알코올n-데실 알코올N-데카틸 알코올N-데칸올N-데킬 알코올T 148노닐카빈올데실 알코올데칸올데킬 알코올디톨 S-91시폴 L 10안타크알코올 C-10DECANOLExxal 10FEMA 2365
Agent 504Alcohol C-10Primary decyl alcoholAlfol 10n-Decatyl alcoholEpal 10Decylic alcohol1-Hydroxydecane

데이터베이스 식별자

CAS
112-30-1、36729-58-5、64641-46-9、70084-71-8、85566-12-7
PubChem CID
8174
DTXSID
DTXSID7021946
ChEMBL
CHEMBL25363
ChEBI
CHEBI:28903
UNII
89V4LX791F
EC Number
203-956-9、253-173-1、287-621-2、613-644-8
Nikkaji
J2.887H

물성

구조 계산 물성

XLogP
4.6
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
8
무거운 원자 수
11

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SolventsSolvents -> Alcohols (<C12)
CosmeticsEmollient; Viscosity controlling
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (1-Decanol) -> IFRA transparency List
Pesticides · 3건

Plant Growth Regulators

Active substance -> EU Pesticides database: Approved

Environmental transformation -> Pesticide transformation products (metabolite, successor)

물리화학적 성질

녹는점
5 · 5-7 °C (lit.)
끓는 점
231 °C · 231 °C (lit.)
밀도
0.829 g/mL · 0.829 g/mL at 25 °C (lit.)
증기 밀도
4.5 · 4.5 (vs air)
증기압
1 mm · 1 mm Hg ( 70 °C)
굴절률
20 · n20/D 1.437(lit.)
화학적 성질 · 1건

1-Decanol is a clear colorless to slightly yellow liquid and has a floral odor resembling orange flowers and a slight, characteristic fatty taste. The threshold odor concentration in air for decyl alcohol (isomer not specified) was reportedly 6.3 ppb. soluble in glacial acetic acid, ethanol, benzene, petroleum ether, easily soluble in ether.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 1.3% (47 of 3504) of reports.

Warning

H315 (51.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3504 reports by companies from 27 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 95.1% (485 of 510) of all reports.

유해성 정보

Regulatory Information · 6건

Chemical: 1-Decanol

Chemical: Alcohols, C8-10

Commission Regulation (EC) No 2229/2004

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

2011/33/EU, Re. (EU) No 2018/1266, Reg. (EU) 2020/2007, Reg. (EU) 2024/1206, Reg. (EU) No 540/2011

Status: Active Update: 23-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15951

DOT LabelFlammable Liquid
Fire Hazards · 2건

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Combustible.

Fire PotentialCombustible when exposed to heat or flame...
Health HazardsDirect contact can produce eye irritation; low general toxicity. (USCG, 1999)
Hazards Summary · 1건

An eye irritant; Liquid defats skin; May cause CNS depression at high concentrations; [ICSC] In lethal dose studies of rats, causes somnolence after ingestion and ataxia after inhalation; [RTECS] Low order of toxicity; LD50 values usually exceed highest dose tested and range from >2000 to >10,000 mg/kg; CNS depression reported after repeated bolus dose of 1-hexanol and 1-octanol but not for members of this group with higher chain length; No reproductive effects; [ToxPlanet: SIDS: Long Chain Alcohols (C6-22 primary aliphatic alcohols)] Inhalation of high concentrations can induce unconsciousness; [MSDSonline]

안전 및 보호

Fire Fighting · 2건

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Use water spray, carbon dioxide, alcohol-resistant foam, dry powder.

First Aid Measures · 4건

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.

First AidCONTACT WITH EYES: flush with water for 15 min. (USCG, 1999)
Safe StorageSeparated from strong oxidants, acid anhydrides and acid chlorides. Store in an area without drain or sewer access.
Exposure Control and Personal Protection10.0 [ppm]
Fire Fighting Procedures · 2건

Wear self-contained breathing appartus for firefighting if necessary. Use water spray to cool unopened containers. Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist, or gas. Ensure adequate ventilation. Remove all sources of ignition. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas.

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

독성 정보

Body Burden1-Decanol was qualitatively detected in expired air of humans having diabetic conditions(1); it was not detected (detection limit not reported) in expired air of non-diabetic humans(1).
Interactions · 2건

... The uptake of cholic acid was unaffected by abdominal irradiation, but for glucose, galactose, and four fatty acids the direction and magnitude of the changes in uptake were influenced by the dose of irradiation and by the interval following exposure. The greater uptake of decanol at 6 weeks but lower uptake of decanol at 33 weeks reflected changes in the resistance of the intestinal unstirred water layer.

N-decyl alc induced nutritional encephalomalacia in 1-day-old chicks could be completely prevented by dietary supplementation of dl-alpha-tocopheryl acetate.

Ecotoxicity Values · 5건

LC50; Species: Pimephales promelas (Fathead minnow) weight 0.12 g; Conditions: flow-through bioassay, water hardness 45.5 mg/L calcium carbonate, temp: 25 + or - 1 °C, pH 7.5, dissolved oxygen >60% of saturation; Concentration: 2.4 mg/L for 96 hr

LC50; Species: Pimephales promelas (Fathead minnow) age 31 days, mean weight 0.075 g, mean length 17.7 mm; Conditions: flow through bioassay, temp 25.2 °C, dissolved oxygen 6.1 mg/L, hardness 41.7 mg/L CaCO3, alkalinity 43.0 mg/L CaCO3, pH 7.49; Concentration: 2.4 mg/L for 96 hr (95% confidence limit: 2.2-2.5 mg/L) /purity 99%/

LC50; Species: Nitocra spinipes (Harpacticoid copepod); Conditions: static; Concentration: 4.0 mg/L for 96 hr (95% confidence limits: 3.1-5.2 mg/L) /formulated product/

LC50; Species: Alburnus alburnus (Bleak); Conditions: static; Concentration: 7.2 mg/L for 96 hr (95% confidence limits: 6.0-8.6 mg/L) /formulated product/

For more Ecotoxicity Values (Complete) data for 1-DECANOL (15 total), please visit the HSDB record page.

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), a reported log Koc value of 2.59(2), indicates that 1-decanol is expected to have moderate mobility in soil(SRC). Volatilization of 1-decanol from moist soil surfaces is expected(SRC) given a Henry's Law constant of 4.78X10-5 atm-cu m/mole(3). 1-Decanol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.51X10-3 mm Hg at 25 °C(4). Various biological screening studies have demonstrated that 1-decanol biodegrades readily(5-7); therefore, biodegradation is expected to be an important process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), a reported log Koc value of 2.59(2), indicates that 1-decanol 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 4.78X10-5 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 27 hours and 12 days, respectively(SRC). 1-Decanol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). According to a classification scheme(5), an estimated BCF of 20(SRC), from its log Kow of 4.57(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Various biological screening studies have demonstrated that 1-decanol biodegrades readily(8-10); therefore, biodegradation is expected to be an important process in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-decanol, which has a vapor pressure of 8.51X10-3 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-decanol 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 25 hours(SRC), calculated from its rate constant of 1.5X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 1-Decanol 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).

Food Survey Values · 1건

1-Decanol was qualitatively detected as a volatile flavor component in the juice of Kogyoku apples(1). 1-Decanol was identified as a volatile component of heated peanut oil(2). 1-Decanol has been reported in fermented beverages, apple juice, milk, butter, beef, pork, beer, cognac, whiskey, red, white and sparkling wines(3). 1-Decanol has been detected in beer, wine and spirits(4).

Adverse EffectsNeurotoxin - Acute solvent syndrome

규제 정보

FDA Requirements · 1건

1-Decanol 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 b) 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.

FIFRA Requirements · 3건

Residues of n-decyl alcohol are exempted from the requirement of a tolerance when used 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. Use: solvent or cosolvent.

Section 4(g)(2)(A) of FIFRA calls for the Agency to determine, after submission of relevant data concerning an active ingredient, whether or not products containing the active ingredient are eligible for reregistration. The Agency has previously identified and required the submission of the generic (i.e., active ingredient-specific) data required to support reregistration of products containing aliphatic alcohols as an active ingredient. The Agency has completed its review of these generic data, and has determined that the data are sufficient to support reregistration of all products containing aliphatic alcohols (C6 - C16). The Agency has completed its assessment of the human health and ecological risks associated with the use of pesticide products containing aliphatic alcohols (C6 - C16). The Agency has determined that aliphatic alcohol-containing products are eligible for reregistration provided that label amendments are made as outlined in Chapter V. ... The Agency has identified eye-irritation concerns that warrant specific label language concerning personal protective equipment (PPE) and the length of restricted-entry intervals after application for tobacco uses of the aliphatic alcohols (C6 - C16). If all changes outlined in this document are incorporated into the product labels, the eye-irritation concerns will have been mitigated. Should a registrant fail to implement any of the reregistration requirements identified in this document, the Agency may take regulatory action to address these concerns.

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 continued use. Under this pesticide reregistration program, EPA examines newer health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether the use of the pesticide does not pose unreasonable risk in accordance to newer safety standards, such as those described in the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA '88 were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern than those on List C, and with List C containing pesticides of greater concern than those on List D. Decanol 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): Decanol; Data Call-in (DCI) Date(s): 10/01/93; AI Status: Supported - The producers of the pesticide have made commitments to conduct the studies and pay the fees required for reregistration, and are meeting those commitments in a timely manner.

Atmospheric Standards · 1건

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Decanol is produced, as an intermediate or a final product, by process units covered under this subpart.

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
HE4375000
ridadr
UN 3082 9/PG 3
독성
LD50 orally in Rabbit: 4720 mg/kg LD50 dermal Rabbit 3560 mg/kg
HS 번호
29051900

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

Uses · 6건

Used to produce plasticizers, lubricants, petroleum additives, herbicides, surface active chemicals, and solvents; [Merck Index, 2855] Used in the perfume industry; [HSDB]

For 1-decanol (USEPA/OPP Pesticide Code: 079038) ACTIVE products with label matches. /SRP: Registered for 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./

1-Decanol is used as a chemical intermediate in the production of esters and fragrances and as an artificial flavor in foods.

Reported uses (ppm):

In the manufacture of plasticizers, synthetic lubricants, petroleum additives, herbicides, surface active agents, solvents. Has moderate antifoaming capacity.

For more Uses (Complete) data for 1-DECANOL (7 total), please visit the HSDB record page.

U.S. Imports(1984) 7.48X10+8 g /Decyl Alcohols/
U.S. Production · 6건

2023: 50,000,000 - <100,000,000 lb

(1972) Greater than 9.1X10+6 grams

(1975) Greater than 4.54X10+5 grams

(1984) 1.28X10+10 g /Alcohols C11 or lower/

(1986) >10 million-50 million pounds

For more U.S. Production (Complete) data for 1-DECANOL (11 total), please visit the HSDB record page.

Consumer UsesSolvent
Industry UsesOther
Methods of Manufacturing · 5건

High-pressure catalytic hydrogenation of the esters of naturally occurring capric acid, or by oligomerization of ethylene using aluminum alkyl technology

Reduction of coconut-oil fatty acids; from C9 olefin and synthetic gas, by Oxo process.

Prepared from caprinaldehyde ... from capric acid methyl ester ... from 1-chlorodecane ... from nonylmagnesium bromide and formaldehyde.

1-Decanol is produced from the reaction of acetaldehyde and crotonaldehyde followed by hydrogenation.

1-Decanol is prepared commercially by sodium reduction or by the high-pressure catalytic reduction of coconut oil, coconut fatty acids, or esters. It is also produced by the Ziegler process, which involves oxidation of trialkylaluminum compounds.

응용 분야 · 3건

출처Reported in the essential oils of ambrette seeds and almond flowers; also in citrus oils, fermented beverages, apple juice, bilberry, American cranberry, papaya, raspberry, cheeses, milk, butter, beef, pork, beer, cognac, whiskey, red, white and sparkling wines, coriander seeds and cardamom.

용도1-Decanol is a long chain alcohol that has been seen to enhance homomeric glycine receptor function. In addition, the 5HT2α receptors were inhibited by the presence of 1-decanol. This action has many psychological repercussions on an individual. 1-Decanol is also used in the manufacture of plasticizers, synthetic lubricants, petroleum additives, herbicides, surface active agents, solvents. Has moderate antifoaming capacity.

일반 설명A clear colorless liquid with a sweet fat-like odor. Flash point 180°F. Less dense than water and insoluble in water. Vapors are heavier than air.

제조 방법 · 2건

생산 방법1-Decanol is prepared commercially by sodium reduction or by the high-pressure catalytic reduction of coconut oil, coconut fatty acids, or esters . It is also produced by the Ziegler process, which involves oxidation of trialkylaluminum compounds.

By sodium reduction or high-pressure catalytic hydrogenation of the esters of naturally occurring capric acid, or by oligomerization of ethylene using aluminium alkyl technology.

공급사50 곳

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
湖北盛明安化工有限公司13928406992 · [email protected]
武汉吉业升化工有限公司027-83360216 18040558719 · [email protected]
추가 설명 · 4건

순도시험(1) 응고점 : 이 품목의 응고점은 5℃이상이어야 한다. (2) 비중 : 이 품목의 비중은 0.826~0.831이어야 한다. (3) 굴절률 : 이 품목의 굴절률 은 1.435~1.439이어야 한다. (4) 용상 : 이 품목 1mL를 60% 에탄올 3mL에 녹일 때, 그 액은 징명하여야 한다. (5) 산가 : 이 품목은 향료시험법 중 산가측정법에 따라 시험할 때, 1 이하이어야 한다.

확인시험이 품목 2~3방울에 과망간산칼륨용액(1→20) 5mL 및 묽은황산 1mL를 넣어 흔들어 섞으면 데실알데히드 향기를 발생한다.

정량법이 품목은 향료시험법 중 알콜류함량측정법 제1법에 따라 시험한다. 다만, 아세틸화유 약 1g을 이용한다.

정의ChEBI: 1-Decanol is a fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of ten carbon atoms. It has a role as a metabolite and a protic solvent. It is a primary alcohol and a fatty alcohol.

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248건

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