기본 정보
- 표준 SMILES
CCCCCCCC(=O)[O-].[Na+]- InChIKey
BYKRNSHANADUFY-UHFFFAOYSA-M- 분자식
- C8H15NaO2
- 평균 분자량
- 166.19 g/mol
- 단동위원소 질량
- 166.096974
이름 및 식별자
- 우선 이름
- Sodium octanoate
- IUPAC
- sodium octanoate
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1984-06-1- PubChem CID
- 23664772
- DTXSID
DTXSID3027451- ChEMBL
CHEMBL557076- ChEBI
CHEBI:132100- UNII
- 9XTM81VK2B
- EC Number
- 217-850-5
- Nikkaji
- J43.159A
물성
구조 계산 물성
- 극성 표면적
- 40.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 94
실험 및 물리화학적 성질
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 31.8% (71 of 223) of reports.
Danger
H314 (46.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (21.1%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (46.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (20.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 223 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 71 of 223 reports by companies.;There are 7 notifications provided by 152 of 223 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.
유해성 정보
Regulatory Information
Chemical: Octanoic acid, sodium salt
Status: Active Update: 12-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33499
Sodium octanoate: Does not have an individual approval but may be used under an appropriate group standard
안전 및 보호
Disposal Methods
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
Toxicity Summary
The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use andconcentration described in the safety assessment when formulated to be non-irritating and non-sensitizing, which may be basedon a QRA...Sodium Caprylate...
Safe for use in cosmetics, with qualifications
Non-Human Toxicity Excerpts
IN RABBITS, IV ADMIN OF SODIUM CAPRYLATE RESULTED IN A PRONOUNCED, ALTHOUGH TRANSIENT, INHIBITION OF PLATELET REACTIVITY AS MEASURED BY THE LASER TECHNIQUE. A SINGLE ORAL DOSE OF CAPRYLATE HAD NO EFFECT ON PLATELET ADHESIVENESS. LONG-TERM ORAL ADMIN (2 & 3 WK) TO RABBITS RESULTED IN A PROGRESSIVE & SIGNIFICANT DECREASE IN PLATELET ADHESIVENESS. OTHER HEMATOLOGIC PARAMETERS SUCH AS HEMATOCRIT, PLASMA CHOLESTEROL, TRIGLYCERIDES, & KETONE BODY CONCENTRATIONS WERE NOT ALTERED BY THE TREATMENT.
SODIUM OCTANOATE (5 MMOLE/KG) INDUCED IN RHESUS MONKEYS (MACACA MULATTA) A 20-MINUTE COMA WITH MYOCLONIA FOLLOWED BY COMPLETE MUSCULAR ATONY & DISAPPEARANCE OF OCULAR MOVEMENTS.
IV ADMIN OF SODIUM OCTANOATE IN DOSES OF 5 MMOLE/KG OVER A PERIOD OF 20 MINUTES PRODUCED A CLINICAL & ELECTROENCEPHALOGRAPHIC SYNDROME RESEMBLING HEPATIC ENCEPHALOPATHY IN 5 RHESUS MONKEYS (MACACA MULATTA).
SODIUM OCTANOATE IN A 0.2 MOLAR SOLUTION WAS ADMINISTERED TO RABBITS BY CONTINUOUS SLOW IV INFUSION OVER 4 HR. SIGNIFICANT INHIBITION OF REGIONAL (SODIUM, POTASSIUM)-ATPASE ACTIVITY WAS DETECTED IN THE CORTEX, THALAMUS, HYPOTHALAMUS, PONS & MEDULLA.
규제 정보
Regulatory Information
Chemical: Octanoic acid, sodium salt
Status: Active Update: 12-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33499
Sodium octanoate: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
약리 정보
Mechanism of Action
SODIUM OCTANOATE (2.4 MMOL) MODIFIED THE INTRACELLULAR ACTION POTENTIAL IN ISOLATED RABBIT ATRIUM & PAPILLARY MUSCLE. THE RATE OF DEPOLARIZATION & TIME OF REPOLARIZATION WERE MARKEDLY DECREASED, BUT NO CHANGE OCCURRED IN THE RESTING MEMBRANE POTENTIAL. THE AMPLITUDE OF THE ACTION & REVERSE POTENTIAL SHOWED MODERATE DECREASES.
SODIUM PROPIONATE, SODIUM BUTYRATE, SODIUM PENTANOATE, SODIUM HEXANOATE, & SODIUM OCTANOATE AT LOW CONCN (0.1-1.0 MMOL) STIMULATED SODIUM TRANSPORT BY THE TOAD BLADDER, BUT HIGH CONCN (5-20 MMOL) REVERSIBLY INHIBITED TRANSPORT.
SODIUM OCTANOATE AT 3.69X10-7 MOL DECREASED THE INCORPORATION OF L-LEUCINE INTO NORMAL RAT LIVER SLICES & HEPATOMA CELLS BY APPROXIMATELY 75%.
용도 및 제조
Uses
CIR ingredient: Sodium Caprylate
Used for blood plasma fractionation; [HSDB]
...plasma (blood) fractionation...
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Food Additives -> ANTICAKING_AGENT; EMULSIFIER -> JECFA Functional Classes
Cosmetics -> Emulsifying; Surfactant
General Manufacturing Information
Octanoic acid, sodium salt (1:1): ACTIVE
SODIUM...PROPIONATES...INCORPORATED IN BREAD DOUGH AS NONTOXIC INHIBITORS OF MOLD GROWTH. ...PROMOTED FOR TREATMENT OF DERMATOMYCOSES. ... RELATIVELY WEAK & POSSESSES ONLY FUNGISTATIC ACTIVITY... CAPRYLIC ACID & ITS SALTS ARE SIMILAR IN ACTIONS...& ARE USED FOR THE SAME MEDICAL PURPOSES. /CAPRYLIC ACID SALTS/
THE RECTAL ABSORPTION OF PHARMACEUTICALS SUCH AS BETA-LACTAM ANTIBIOTICS OR INSULIN, IS INCREASED IN THE PRESENCE OF A C8-14 FATTY ACID OR ITS SALTS, SUCH AS SODIUM OCTANOATE, OR LEUCIC ACID.
STABILIZERS ADDED TO PREPARATIONS OF HUMAN SERUM ALBUMIN BEFORE HEAT TREATMENT WERE TESTED FOR BILIRUBIN DISPLACING EFFECT, USING THE PEROXIDASE METHOD. SODIUM CAPRYLATE DISPLACED BILIRUBIN FROM ITS COMPLEX WITH HUMAN SERUM ALBUMIN IN VITRO.
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