Heptadecanoic Acid

HCID 10465CAS 506-12-7

基本情報

標準SMILES
CCCCCCCCCCCCCCCCC(=O)O
InChIKey
KEMQGTRYUADPNZ-UHFFFAOYSA-N
分子式
C17H34O2
平均分子量
270.5 g/mol
単同位体質量
270.25588033

概要

Heptadecanoic acid is a C17 saturated fatty acid and trace component of fats in ruminants. It has a role as a mammalian metabolite, a Daphnia magna metabolite and an algal metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a margarate.

名称と識別子

優先名称
Heptadecanoic Acid
IUPAC
heptadecanoic acid
英語名
Heptadecanoic acid
分子式
C17H34O2
分子量
0

名称と別名

HEPTADECANOIC ACID506-12-7Margaric acidn-Heptadecanoic acidMargarinic acidn-Heptadecylic acidn-Heptadecoic acidHeptadecylic acidC17:0V987Y9OZ8LDTXSID5021596NSC-3743
名称をさらに表示
CHEBI:32365fatty acid 17:0RefChem:922841DTXCID201596208-027-1MFCD00002751Normal-heptadecanoic acidFA 17:0

データベース識別子

CAS
506-12-7、63399-94-0、67701-03-5、68424-37-3
PubChem CID
10465
DTXSID
DTXSID5021596
ChEMBL
CHEMBL1172910
ChEBI
CHEBI:32365
UNII
V987Y9OZ8L
EC Number
208-027-1、264-123-3
Nikkaji
J43.341A

物性

構造計算による物性

XLogP
6.9
極性表面積
37.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
15
重原子数
19

実験および物理化学的性質

Chemical ClassesBiological Agents -> Fatty Acids and Fats
Lipids · 2 件

Lipids -> Unambiguous Lipids

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]

SpringerMaterials PropertiesBoiling point
Solubility4.2 mg/L @ 25 °C (exp)
Boiling Point363.00 to 364.00 °C. @ 760.00 mm Hg
Melting Point61.3 °C

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 57.1% (80 of 140) of all reports.

Warning

H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 140 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Heptadecanoic acid

Heptadecanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Heptadecanoic acid 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)

Restricted substance: Lead(2+) heptadecanoate

Heptadecanoic acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Heptadecanoic acid: Human health tier I assessment
Hazards SummaryCauses convulsions in intravenous lethal-dose studies of mice (LD50 = 36 mg/kg); [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
EPA Safer ChemicalChemical: Heptadecanoic acid
Hazard Classes and CategoriesSkin Irrit. 2 (42.9%)

化学と産業

薬理情報

Tissue LocationsAdipose Tissue
Cellular LocationsCytoplasm

用途と製造

U.S. Production2023: 5,000,000 - <10,000,000 lb
Consumer UsesSoil amendments (fertilizers)
Industry UsesBinder
Use Classification · 2 件

EPA Safer Chemical Functional Use Classes -> Surfactants

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Heptadecanoic acid: ACTIVE

サプライヤー50 社

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]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

関連反応

6 件

関連ノート

読み込み中…