Methyl Palmitate

HCID 8181CAS 112-39-0

기본 정보

표준 SMILES
CCCCCCCCCCCCCCCC(=O)OC
InChIKey
FLIACVVOZYBSBS-UHFFFAOYSA-N
분자식
C17H34O2
평균 분자량
270.5 g/mol
단동위원소 질량
270.25588033

개요

Methyl palmitate is a fatty acid methyl ester. It has a role as a metabolite.

이름 및 식별자

우선 이름
Methyl Palmitate
IUPAC
methyl hexadecanoate
영어명
Methyl hexadecanoate
분자식
C17H34O2
분자량
270.45066

이름 및 동의어

METHYL PALMITATEMethyl hexadecanoate112-39-0Palmitic acid methyl esterHexadecanoic acid, methyl esterMetholene 2216Palmitic acid, methyl esterMethyl n-hexadecanoateUniphat A60n-Hexadecanoic acid methyl esterDTXSID4029149DPY8VCM98I
이름 더 보기
DUB PM COSNSC-4197AEC METHYL PALMITATEDTXCID909149RefChem:6025203-966-3Hexadecanoic acid methyl esterUNII-DPY8VCM98I

데이터베이스 식별자

CAS
112-39-0
PubChem CID
8181
DTXSID
DTXSID4029149
ChEMBL
CHEMBL335125
ChEBI
CHEBI:69187
UNII
DPY8VCM98I
EC Number
203-966-3
Nikkaji
J1.994A

물성

구조 계산 물성

XLogP
7.9
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
15
무거운 원자 수
19

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Plant Oils and Extracts
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
CosmeticsSkin conditioning; Emollient
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Methyl hexadecanoate) -> IFRA transparency List
LogP · 2건

log Kow= 7.38

7.38

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 5.9% (99 of 1667) of reports.

Warning

H315 (82.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1667 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 5건

Chemical: Hexadecanoic acid, methyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Hexadecanoic acid, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexadecanoic acid, methyl ester 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: 27-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/15817

Methyl palmitate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Hexadecanoic acid, methyl ester: Human health tier I assessment
Hazards SummaryMay cause irritation; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (82.7%)

안전 및 보호

Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

독성 정보

Body BurdenMethyl palmitate was detected in thrombogenic coronary plaques in 2 of 2 human aortas samples at 9 and 120 ppb(1).
Interactions · 5건

METHYL PALMITATE, AN INHIBITOR OF RETICULOENDOTHELIAL SYSTEM (RES) FUNCTION, INHIBITED BOTH THE RES FUNCTION & SERUM LYSOZYME INCREASES WHEN ADMIN TO GLUCAN TREATED MICE.

GLUCAN-TREATED, ENDOTOXIN-SENSITIVE RATS ADMIN METHYL PALMITATE, A RETICULOENDOTHELIAL DEPRESSANT WHICH RENDERS RATS ENDOTOXIN RESISTANT, FOLLOWED BY SALMONELLA ENTERITIDIS ENDOTOXIN, RESULTED IN ENHANCED ELEVATION OF PLASMA GLUTAMIC OXALACETIC TRANSAMINASE & HYPOGLYCEMIA.

THE VASCULAR REMOVAL & ORGAN UPTAKE OF INCOMPATIBLE SHEEP RED CELLS LABELED WITH CHROMIUM IN MICE WAS DECR DUE TO DECR VASCULAR CLEARANCE CAUSED BY FAILURE IN PHAGOCYTOSIS BY BOTH LIVER & SPLEEN AFTER ADMIN OF METHYL PALMITATE, A RETICULOENDOTHELIAL DEPRESSANT.

THE ADMIN OF METHYL PALMITATE 100 MG/100 G, IV TO RATS CAUSED AN INCR IN SURVIVAL AT ENDOTOXIN DOSES OF 0.75 TO 3.0 MG/100 G. ALTHOUGH A MEAN 38% MORTALITY WAS CAUSED BY SALMONELLA ENTERITIDIS ENTOXIN 0.5 MG/100 G, IV IN NORMAL RATS , A 6-FOLD INCR OF THIS DOSE DID NOT CAUSE MORTALITY IN THE METHYL PALMITATE GROUP. METHYL PALMITATE, WHEN ADMIN TO GLUCAN-TREATED RATS, CAUSED NORMAL PHAGOCYTIC ACTIVITY IN THE PRESENCE OF RETICULOENDOTHELIAL SYSTEM HYPERTROPHY.

For more Interactions (Complete) data for METHYL PALMITATE (8 total), please visit the HSDB record page.

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 18,000(SRC), determined from a structure estimation method(2), indicates that methyl palmitate is expected to be immobile in soil(SRC). Volatilization of methyl palmitate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.009 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, adsorption to soil is expected to attenuate volatilization(SRC). Methyl palmitate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.00006 mm Hg(4). Methyl palmitate is expected to rapidly biodegrade in aerobic soils based on the results of screening studies(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 18,000(SRC), determined from an estimation method(2), indicates that methyl palmitate is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 0.009 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Volatilization half-lives for a model river and model lake are 5 and 160 hours, respectively(SRC), using an estimation method(3). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The volatilization half-life from a model pond is estimated to be about 60 hours ignoring adsorption; when considering maximum adsorption the volatilization half-life increases to 150 days(5). According to a classification scheme(6), an estimated BCF of 620(SRC) from a log Kow of 7.38(10) regression-derived equation(7) suggests the potential for bioconcentration in aquatic organisms is high. Methyl palmitate is expected to rapidly biodegrade in aerobic waters(8). An estimated base-catalyzed second-order hydrolysis rate constant of 0.030 L/mole-sec(9,SRC) corresponds to half-lives of 7.3 years and 270 days at pH values of 7 and 8, respectively(9).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), methyl palmitate, which has a vapor pressure of 0.00006 mm Hg at 25 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase methyl palmitate 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 20 hours(SRC) from its estimated rate constant of 1.9X10-11 cu cm/molecule-sec at 25 °C(3). Particulate-phase methyl palmitate may be removed from the air by wet and dry deposition(SRC).

Food Survey ValuesMethyl palmitate was detected as a volatile flavor component of clove essential oil(1). It was identified as a constituent of cassava, gari, farine(2), clams, short neck clams, and corbicula(3).
Effluent ConcentrationsMethyl palmitate was identified in 1 of 3 New Jersey POTW effluents, date not provided, at an estimated concentration of 1 ppb(1). It was detected in 12 of 13 effluent samples from an olive oil production plant, Spain, at 163-15808 ug/l(2).
Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc for methyl palmitate can be estimated to be about 18,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl palmitate is expected to be immobile in soil.

화학 및 산업

약리 정보

Biological Half-Life · 1건

THE UTILIZATION OF (14)C-LABELED PALMITIC ACID BY RATS WAS DETERMINED BY THE LEVEL OF (14)-CARBON IN EXPIRED AIR AFTER ADMIN OF PALMITATE METHYL ESTER BY STOMACH TUBE. TWO SUCCESSIVE PEAKS IN THE OUTPUT OF LABELED CO2 OCCURRED, AT 3 & 18 HR. PALMITIC ACID ADMIN WAS ONLY HALF THE SIZE OF THE 1ST PEAK. THE 2 SUCCESSIVE PEAKS INDICATED A RECIRCULATION OF FATTY ACIDS IN THE RAT. T/2 OF THE LABELED PALMITIC ACID WAS 3 HR.

Absorption, Distribution and Excretion · 1건

RETENTION & DISTRIBUTION OF (14)-CARBON ACTIVITY IN TISSUE LIPIDS AND FATTY ACIDS WERE DETERMINED 2 DAYS AFTER ADMIN OF (14)C-LABELED PALMITATE METHYL ESTER BY STOMACH TUBE. RETENTION WAS LOW IN YOUNG RATS WITHOUT ADIPOSE TISSUE. RETENTION IN THE BRAIN WAS FOUND AFTER 17 DAYS. THE HIGHEST LEVEL OF ACTIVITY WAS FOUND IN THE CARCASS.

용도 및 제조

Uses · 4건

Found in flowers of the Japanese honeysuckle (Lonicera japonica), clove essential oil, cassava, gari, farine, clams, short neck clams, and corbicula; Used to make detergents, emulsifiers, wetting agents, stabilizers, resins, lubricants, plasticizers, and animal feeds, [HSDB]

Farming (Feed Additives) [Category: Industry]

Intermediate for detergents, emulsifiers, wetting agents, stabilizers, resins, lubricants, plasticizers, animal feeds, medical research.

CHEM INT-EG, FOR ALKANOLAMIDES, FATTY ALCOHOLS & ACIDS

U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesLubricating agent
Methods of ManufacturingEsterification of palmitic acid with methanol or alcoholysis of palm oil plus vacuum distillation.
Household ProductsInformation on 1 consumer products that contain Methyl palmitate in the following categories is provided:

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]

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