Pentadecanoic Acid (HCID 13849)

이름 및 식별자

우선 이름: Pentadecanoic Acid
IUPAC: pentadecanoic acid
영어명: Pentadecanoic acid
분자식: C15H30O2
분자량: 242.4

이름 및 동의어

PENTADECANOIC ACID1002-84-2Pentadecylic acidn-Pentadecanoic acidC15:0DTXSID2021652CCW02D961FNSC-28486CHEBI:42504DTXCID601652FEMA NO. 4334NSC28486

이름 더 보기

fatty acid 15:0RefChem:171339213-693-1Pentadecyclic acidn-Pentadecylic acidMFCD00002745NSC 28486Pentadecanoic acid, 99%

데이터베이스 식별자

CAS: 1002-84-2
PubChem CID: 13849
DTXSID: DTXSID2021652
ChEMBL: CHEMBL460025
ChEBI: CHEBI:42504
UNII: CCW02D961F
EC Number: 213-693-1
Nikkaji: J3.656K

물성

구조 계산 물성

XLogP: 5.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 13
무거운 원자 수: 17
형식 전하: 0
복잡도: 166

실험 및 물리화학적 성질

Melting Point · 2건

52.3 °C

53 °C

Physical Description · 3건

Other Solid

White crystalline solid; [Alfa Aesar MSDS]

Solid

Kovats Retention Index · 3건

1823；1823；1844；1845；1844；1844；1839；1860；1865；1867；1867；1869；1869；1868；1840；1843；1843；1857；1842；1845

1867.1；1869；1857；1857；1868.4；1863；1867；1878；1857；1887；1872；1869；1872；1865；1833；1869；1877；1890；1857；1845

2791；2779；2791；2819；2821；2822；2822；2809；2822；2822；2822；2822；2822；2809；2822；2822；2822；2819；2822；2839.5

Collision Cross Section · 5건

165.1 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]

162.72 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

165.34 Å² [M-H]- [CCS Type: DT; Method: stepped-field]

165.59 Å² [M-H]- [CCS Type: DT; Method: stepped-field]

165.1 Å² [M-H]-；165 Å² [M-H]-

물리화학적 성질

녹는점: 52.3 °C · 52.3 °C
끓는 점: 339.1 °C · 339.1 °C
밀도: 0.895 · 0.895±0.06 g/cm3(Predicted)
산도 계수 (pKa): 4.78 · 4.78±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.7% (1 of 140) of reports.

Warning

H315 (99.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (99.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 140 reports by companies.；There are 8 notifications provided by 139 of 140 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 · 3건

Chemical: Pentadecanoic acid

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

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

Other Safety InformationIMAP assessments - Pentadecanoic acid: Human health tier I assessment；Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryCauses convulsions in intravenous lethal-dose studies of mice (LD50 = 54 mg/kg); [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (99.3%)；Eye Irrit. 2 (99.3%)；STOT SE 3 (95.7%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

0.18 [mg/m3]

1.9 [mg/m3]

12 [mg/m3]

규제 정보

Regulatory Information · 3건

Chemical: Pentadecanoic acid

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

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

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

약리 정보

Tissue LocationsAdipose Tissue

Cellular LocationsCytoplasm；Extracellular；Membrane

용도 및 제조

UsesIn serum as a marker for intake of milk fat. [ChemIDplus]

U.S. Production2023: 1,000,000 - <5,000,000 lb；2022: 1,000,000 - <5,000,000 lb；2021: 1,000,000 - <5,000,000 lb；2020: 1,000,000 - <5,000,000 lb

Consumer UsesSoil amendments (fertilizers)；Binder

Industry UsesLubricating agent；Binder；Surfactant (surface active agent)；Soil amendments (fertilizers)；Anti-static agent

Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2건

Plastics Product Manufacturing；All Other Basic Organic Chemical Manufacturing；Miscellaneous Manufacturing；Food, beverage, and tobacco product manufacturing；Paper Manufacturing

Pentadecanoic acid: ACTIVE