n-노난올

1-노난올 · n-노난올 · 1-노나놀 · NONANOL · Nonan-1-ol · FEMA 2789 · NONYL ALCOHOL · n-Nonanol

식별자 및 물리적 특성

CAS No.	143-08-8
분자식	C9H20O
평균 분자량	144.25 g/mol
단동위원소 질량	144.15141526 g/mol
SMILES	CCCCCCCCCO
InChIKey	ZWRUINPWMLAQRD-UHFFFAOYSA-N
PubChem CID	8914
ChEMBL	CHEMBL24563
ChEBI	CHEBI:35986
EC No.	205-583-7
DTXSID	DTXSID6022008
현지명	n-노난올

화학 및 물리적 성질

XLogP	4.3
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	7
무거운 원자 수	10
형식 전하	0
복잡도	52
LogP(분배 계수)	log Kow = 3.77
냄새	Floral odorOdor of citronella oil장미 감귤류.
밀도	0.827 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8279 at 20 °C/4 °C0.824-0.8300.827 @ 20°C0.827 g/mL at 25 °C (lit.)
Viscosity	11.7 centapoise at 20 °C
Color/Form	Colorless to yellowish liquid
용해도	Miscible with alcohol, etherSoluble in ethanol, ethervery soluble in carbon tetrachlorideIn water, 140 mg/L at 25 °C0.14 mg/mL at 25 °Cmiscible with alcohol, chloroform, etherinsoluble in water1 ml in 3 ml 60% alcohol gives clear soln (in ethanol)69.54mg/L
인화점	165 °F (USCG, 1999)74 °C208 °F
끓는 점	415 °F at 760 mmHg (USCG, 1999)213.3 °CBP: 215 °C at 760 mm Hg107.5 °C at 15 mm Hg95.6 °C at 7.5 mm Hg213.00 to 215.00 °C. @ 760.00 mm Hg213 °C213.5 °C @760 [mm Hg]215 °C (lit.)
Decomposition	When heated to decomposition it emits acid smoke and irritating fumes.
녹는점	23 °F (USCG, 1999)-5 °C-8--6 °C (lit.)
후각 역치	Odor and taste perception threshold is 0.1 mg/L.
증기압	0.02 [mmHg]0.3 [mmHg]0.0227 [mm Hg] @25 °C13 mm Hg ( 104 °C)
증기 밀도	5 (vs air)
굴절률	n20/D 1.433(lit.)
FEMA	2789 \| NONYL ALCOHOL
저장 조건	Store below +30°C.
물리적 상태	액체
pKa(산도 계수)	15.22±0.10(Predicted)
색상	무색의
후각 역치	0.0009ppm
향취 유형	꽃향기
생물학적 소스	synthetic
폭발한계	0.80-6.10%(V)
용해도	1g/L(20℃)
JECFA Number	100
Merck	14,6679
BRN	969213
헨리 상수	2.7×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
유전율	8.8300000000000001
안정성	안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능	향수
InChI	1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
InChIKey	ZWRUINPWMLAQRD-UHFFFAOYSA-N
SMILES	CCCCCCCCCO
LogP(분배 계수)	4.59 at 20℃
NIST	1-Nonanol(143-08-8)
EPA	1-Nonanol (143-08-8)

화학적 성질

1-Nonanol is a colourless to light yellow liquid that has a characteristic rose-orange odor and a slightly fatty, bitter taste reminiscent of orange. It can be found in several citrus oils.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 0.4% (8 of 2003) of reports.WarningH315 (13.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (99.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H411 (80.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]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 2003 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 8 of 2003 reports by companies.There are 11 notifications provided by 1995 of 2003 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	Chemical: 1-NonanolChemical: Nonanol1-Nonanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Nonanol 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)Nonanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Nonanol 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: 24-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20651-Nonanol: Does not have an individual approval but may be used under an appropriate group standard
운송 라벨(DOT)	Class 9
화재 위험	Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:Some may burn but none ignite readily. Containers may explode when heated. Some may be transported hot. For UN3508, Capacitor, asymmetric, be aware of possible short circuiting as this product is transported in a charged state. Polymeric beads, expandable (UN2211) may evolve flammable vapours. (ERG, 2024)

용도

개요

1-Nonanol is a straight chain fatty alcohol with nine carbon atoms and the molecular formula CH3(CH2)8OH. It is a colorless to slightly yellow liquid with a citrus odor similar to citronella oil. Nonanol occurs naturally in the orange oil. The primary use of nonanol is in the manufacture of artificial lemon oil. Various esters of nonanol, such as nonyl acetate, are used in perfumery and flavors. Nonanol floats on water and its freezing point 23°F.

출처

Reported as occurring frequently in nature, free or esterified; in the essential oils of grapefruit, Guinea sweet orange, Italian and Israeli sweet orange, bitter orange; and in oak musk concrete. Also reported found in apple, citrus juices, many berries, currants, guava, grapes, papaya, melon, pineapple, asparagus, cucumber, leek, peas, potato, cheeses, butter, milk, cooked chicken, beef and pork, hop oil, beer, rum, grape wines, tea, pecan, peanut oil, soybean, olive, plum, rose apple, beans, mushroom, starfruit, cauliflower, tamarind, fig, cardamom, rice, prickly pear, sweet corn, malt, cherimoya, clary sage, oysters, crab, crayfish, clam, nectarine, mate, pepino fruit (Solanum muricatum), apricot, tobacco, and wheat bread.

일반 설명

Colorless liquid with a rose or fruity odor. Floats on water. Freezing point 23°F.

제조 및 합성 방법

생산 방법

1-Nonanol is produced by the high-pressure catalytic reduction of esters of pelargonic acid.

제조 방법

1-Nonanol can be synthesized by reduction of ethyl pelargonate; from heptaldehyde via heptanol and heptylmagnesium bromide with ethylene oxide.