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HCID 10405생성일: 2026년 10월 27일

노나논(5-)

노나논(5-) · 다이뷰틸케톤 · 다이뷰틸 케톤 · 5-노나논 · Nonanone · 5-Nonone · VALERONE · 5-Nonanon

https://huagongshe.com/ko/chemical/10405

노나논(5-) 분자 구조식

식별자 및 물리적 특성

CAS No.502-56-7
분자식C9H18O
평균 분자량142.24 g/mol
단동위원소 질량142.1357652 g/mol
SMILESCCCCC(=O)CCCC
InChIKeyWSGCRAOTEDLMFQ-UHFFFAOYSA-N
PubChem CID10405
EC No.207-946-5
DTXSIDDTXSID7022045
현지명노나논(5-)

화학 및 물리적 성질

XLogP2.7
극성 표면적17.1
수소 결합 공여자 수0
수소 결합 수용자 수1
회전 가능 결합 수6
무거운 원자 수10
형식 전하0
복잡도76.7
SolventsSolvents -> Ketones (<C12)
SpringerMaterials PropertiesBoiling point
LogP(분배 계수)log Kow = 2.88
밀도0.822 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8217 at 20 °C/4 °C0.826 g/mL at 25 °C (lit.)
Color/FormColorless to light yellow liquid
용해도Soluble in ethanolvery soluble in ether and chloroformIn water, 363 mg/L at 30 °CSlightly soluble in water, soluble in alcohol and oils.
인화점60 °C (closed cup)141 °F
끓는 점370 °F at 760 mmHg (USCG, 1999)188.4 °C186-187 °C (lit.)
DecompositionWhen heated to decomp it emits acrid smoke & irritating fumes.
녹는점21 °F (USCG, 1999)-3.8 °C-50 °C (lit.)
증기압0.55 [mmHg]0.552 mm Hg at 25 °C
굴절률Index of refraction: 1.4195 at 20 °C/Dn20/D 1.419(lit.)
저장 조건Sealed in dry,Room Temperature
물리적 상태액체
색상무색투명~미황색
냄새Sweet Oakmoss-like penetrating odor with floral undertones.
용해도256mg/L(25℃)
비열Cp(liquid): 2.13 J/(g·K), at 25℃
BRN1743583
헨리 상수4.0×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
유전율10.6
InChI1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3
InChIKeyWSGCRAOTEDLMFQ-UHFFFAOYSA-N
SMILESCCCCC(=O)CCCC
NIST5-Nonanone(502-56-7)
EPA5-Nonanone (502-56-7)

화학적 성질

5-Nonanone is a stable and colorless-to-light yellow liquid.No human odor threshold was identified for 5-nonanone. However, Laska et al. demonstrated using a conditioning paradigm that the olfactory threshold of squirrel monkeys and pigtail caques for 5-nonanone is below 1 ppb .

안전 및 규제

GHS 분류This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.DangerH226 (25%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보Chemical: 5-Nonanone5-Nonanone: Does not have an individual approval but may be used under an appropriate group standard
운송 라벨(DOT)Flammable Liquid
화재 위험Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
건강 유해성Inhalation causes irritation of nose and throat. Ingestion causes irritation of mouth and stomach. Contact with eyes or skin causes irritation. (USCG, 1999)
유해성 요약A skin, eye, nose, and throat irritant[CAMEO] Effects in high-dose animal studies include change in righting reflex and spastic paralysis[RTECS] May cause irritation[MSDSonline]The major hazards encountered in the use and handling of dibutyl ketone stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to this colorless to light yellow liquid may occur from its presence as a contaminant in some solvents. Effects from exposure may include ocular pain and corneal damage, shortness of breath, nausea, headache, dizziness, fainting, coma and death. When heated to decomposition, dibutyl ketone emits acrid fumes. Before implementing land disposal of waste dibutyl ketone, consult with environmental regulatory agencies for guidance.
반응성 그룹Ketones
Reactivity AlertsHighly Flammable
Reactivity ProfileKetones, such as DI-N-BUTYL KETONE, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4. May attack some forms of plastics (USCG, 1999).

용도

용도

5-Nonanone is used in preparation of 6-(1,2,4-oxadiazol-5-yl)chroman-4-one derivatives as S1P1 receptor modulators and methods for preparing them.

일반 설명

Colorless to light yellow liquid. Floats on water. Freezing point is 21°F.

Flammable LimitsA flammable liquid.
Air and Water ReactionsHighly flammable.
Hazard Classes and CategoriesFlam. Liq. 3 (25%)
소화Fire Extinguishing Agents Not to Be Used: Water may be ineffective.
응급 처치INHALATION: remove to fresh airadminister artificial respiration if needed.
비화재 누출 대응Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
처리 방법SRP: 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 qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
Isolation and EvacuationExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Personal Protective Equipment (PPE)Rubber glovesgoggles or face shield (USCG, 1999)
상호 작용The toxicity of 5-nonanone in rats is enhanced by simultaneous exposure to the microsomal enzyme inducing agent methyl ethyl ketone.An oral dose of 233 mg/kg 5-nonanone admin to rats 5 days/wk for 13 wk produced a minor subclinical neuropathy. When the same amt of 5-nonanone (233 mg/kg) was present as an 11% contaminant in a commercial lot of 5-methyl-2-octanone, neuropathy developed in less than 90 days.
생태독성 수치LC50 Pimephales promelas (fathead minnow) 30 days old 31.0 mg/L/96 hr (confidence limit: 29.4-32.6 mg/L) at 25.2 °C (hardness 44.5 mg/L calcium carbonate, pH 7.70) /Purity 98%flow through bioassay/
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 170(SRC), determined from a water solubility of 363 mg/L(2) and a regression-derived equation(3), indicates that dibutyl ketone is expected to have moderate mobility in soil(SRC). Volatilization of dibutyl ketone from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.8X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 0.55 mm Hg(4), and its water solubility(2). Dibutyl ketone is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). Dibutyl ketone is expected to biodegrade under aerobic conditions(5).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 170(SRC), determined from a water solubility of 363 mg/L(2) and a regression-derived equation(3), indicates that dibutyl ketone 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 2.8X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 0.55 mm Hg(4), and its water solubility(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 7 hours and 5.8 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 22(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Dibutyl ketone is expected to biodegrade under aerobic conditions(6).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dibutyl ketone, which has a vapor pressure of 0.55 mm Hg at 25deg C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase dibutyl ketone 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 29 hours(SRC), calculated from its rate constant of 1.3X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Dibutyl ketone contains chromophores that absorb at wavelengths >290 nm and therefore may be susceptible to direct photolysis by sunlight(4).
식품 조사 수치Dibutyl ketone was detected, not quantified, in the volatiles of cooked beef(1).
유해 작용Neurotoxin - Acute solvent syndrome
생태독성 발췌/AQUATIC SPECIES/ Affected fish /fathead minnow/ became hypoactive, stopped schooling, and lost equilibrium prior to death. /Purity 98%//OTHER TERRESTRIAL SPECIES/ Ketones, incl dibutyl ketone, tested in releasing alarm pheromones in ants. The most active cmpd were of a size and geometry similar to 4-methyl-3-heptanone.
Effluent ConcentrationsDibutyl ketone has been qualitatively detected in trench leachates collected from commercially operated low-level radioactive waste disposal sites at Maxey Flats, KY and at West Valley, NY(1). Dibutyl ketone has been identified, not quantified, in wastewater effluents from domestic sewage treatment(2). Dibutyl ketone was detected in 2 of 63 industrial waters (concn less than 10 ppb) which were sampled from a wide range of chemical manufacturers in areas across the United States(3).
Soil Adsorption/MobilityThe Koc of dibutyl ketone is estimated as 170(SRC), using a water solubility of 363 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dibutyl ketone is expected to have moderate mobility in soil.
Human Toxicity Excerpts/OTHER TOXICITY INFORMATION/ No adverse effects to humans due to 5-nonanone have been reported.
Artificial Pollution SourcesDibutyl ketone's former production and use as a solvent(1) and as a byproduct during the synthesis of other ketones(2) may have resulted in its release to the environment through various waste streams(SRC).
Environmental BiodegradationAEROBIC: Using a standard BOD dilution technique and a sludge inoculum, a theoretical BOD of 7.9% was measured for dibutyl ketone over a 24 hour incubation period(1).
Environmental BioconcentrationAn estimated BCF of 22 was calculated in fish for dibutyl ketone(SRC), using a water solubility of 363 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
수질 위해 등급(WGK)3
TSCA 등재 상태TSCA listed
RTECS 번호RA8230000
운송 번호(UN)UN 1224 3/PG 3
독성mouse,LD50,intravenous,138mg/kg (138mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX),Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.
관세 코드29141990
안전 문구(S)23-24/25
포장분류III
위험 등급3
기존화학 물질KE-26192
저장 분류3 - Flammable liquids
유해 물질 데이터502-56-7(Hazardous Substances Data)