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HCID 10465作成日：2026年10月27日

Heptadecanoic Acid

https://huagongshe.com/ja/chemical/10465

識別子と物理属性

CAS No.	506-12-7
分子式	C17H34O2
平均分子量	270.5 g/mol
単同位体質量	270.25588033 g/mol
SMILES	CCCCCCCCCCCCCCCCC(=O)O
InChIKey	KEMQGTRYUADPNZ-UHFFFAOYSA-N
PubChem CID	10465
ChEMBL	CHEMBL1172910
ChEBI	CHEBI:32365
EC No.	208-027-1
DTXSID	DTXSID5021596

化学・物理的性質

XLogP	6.9
極性表面積	37.3
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
形式電荷	0
複雑度	190
物質分類	Biological Agents -> Fatty Acids and Fats
脂質	Lipids -> Unambiguous LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
SpringerMaterials Properties	Boiling point
溶解度	4.2 mg/L @ 25 °C (exp)
沸点	363.00 to 364.00 °C. @ 760.00 mm Hg
融点	61.3 °C
Physical Description	LiquidOther Solid[Merck Index]
Collision Cross Section	173.2 Å² [M-H]- [CCS Type: DTBuffer gas: N2Sample Type: Human bronchoalveolar lavage fluid (BALF)Dataset: Unambiguous Lipids]173.41 Å² [M-H]- [CCS Type: DTMethod: stepped-field]173.49 Å² [M-H]- [CCS Type: DT170.78 Å² [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]172.8 Å² [M-H]-

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 57.1% (80 of 140) of all reports.WarningH315 (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.
規制情報	Chemical: Heptadecanoic acidHeptadecanoic 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+) heptadecanoateHeptadecanoic acid: Does not have an individual approval but may be used under an appropriate group standard
その他の安全情報	IMAP assessments - Heptadecanoic acid: Human health tier I assessment
有害性の概要	Causes convulsions in intravenous lethal-dose studies of mice (LD50 = 36 mg/kg)[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS]
EPA Safer Chemical	Chemical: Heptadecanoic acid
Hazard Classes and Categories	Skin Irrit. 2 (42.9%)

CAS No.

506-12-7

分子式

C17H34O2

平均分子量

270.5 g/mol

単同位体質量

270.25588033 g/mol

SMILES

CCCCCCCCCCCCCCCCC(=O)O

InChIKey

KEMQGTRYUADPNZ-UHFFFAOYSA-N

PubChem CID

10465

ChEMBL

CHEMBL1172910

ChEBI

CHEBI:32365

EC No.

208-027-1

DTXSID

DTXSID5021596

化学・物理的性質

XLogP

6.9

極性表面積

37.3

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

190

物質分類

Biological Agents -> Fatty Acids and Fats

脂質

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

SpringerMaterials Properties

Boiling point

溶解度

4.2 mg/L @ 25 °C (exp)

沸点

363.00 to 364.00 °C. @ 760.00 mm Hg

融点

61.3 °C

Physical Description

LiquidOther Solid[Merck Index]

Collision Cross Section

173.2 Å² [M-H]- [CCS Type: DTBuffer gas: N2Sample Type: Human bronchoalveolar lavage fluid (BALF)Dataset: Unambiguous Lipids]173.41 Å² [M-H]- [CCS Type: DTMethod: stepped-field]173.49 Å² [M-H]- [CCS Type: DT170.78 Å² [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]172.8 Å² [M-H]-

安全性と法規制

GHS 分類

This chemical does not meet GHS hazard criteria for 57.1% (80 of 140) of all reports.WarningH315 (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.

規制情報

Chemical: Heptadecanoic acidHeptadecanoic 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+) heptadecanoateHeptadecanoic acid: Does not have an individual approval but may be used under an appropriate group standard

その他の安全情報

IMAP assessments - Heptadecanoic acid: Human health tier I assessment

有害性の概要

Causes convulsions in intravenous lethal-dose studies of mice (LD50 = 36 mg/kg)[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS]

EPA Safer Chemical

Chemical: Heptadecanoic acid

Hazard Classes and Categories

Skin Irrit. 2 (42.9%)