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2-Heptanol

HCID 10976
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
52390-72-4
표준 SMILES
CCCCCC(C)O
InChIKey
CETWDUZRCINIHU-UHFFFAOYSA-N
분자식
C7H16O
평균 분자량
116.2 g/mol
단동위원소 질량
116.12011513

개요

2-heptanol appears as a clear colorless alcohol with a mild alcohol odor. Insoluble in water. Floats on water. Soluble in most organic liquids. Moderately toxic. Used as a solvent for various resins and as a flotation agent for ore processing.

이름 및 식별자

우선 이름
2-Heptanol
IUPAC
heptan-2-ol
영어명
2-Heptanol
분자식
C7H16O
분자량
116.20134

이름 및 동의어

2-HEPTANOLHeptan-2-ol543-49-7s-Heptyl alcohol2-Heptyl alcohol2-HydroxyheptaneAmyl methyl carbinol1-MethylhexanolMethyl amyl carbinolHeptanol-2Heptyl alcohol, sec-2-Heptanol (natural)
이름 더 보기
FEMA No. 3288NSC 2220DTXSID1047158EINECS 208-844-3E12FIG07JKBRN 1719088AI3-11263NSC-2220

데이터베이스 식별자

CAS
52390-72-4、543-49-7
PubChem CID
10976
DTXSID
DTXSID1047158
ChEMBL
CHEMBL449522
ChEBI
CHEBI:88815
UNII
E12FIG07JK
EC Number
208-844-3
Nikkaji
J6.402E

물성

구조 계산 물성보충 중

XLogP
2.3
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
4
무거운 원자 수
8
형식 전하
0
복잡도
43.7

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SolventsSolvents -> Alcohols (<C12)
FragrancesFragrance Ingredient (2-Heptanol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 2건

Relative density (water = 1): 0.82

0.817-0.819 (20 °C)

Flavoring AgentsEU Flavoring substances
Solubility · 3건

Solubility in water, g/100ml: 0.35

soluble in alcohol and ether; slightly soluble in water

(in ethanol)

Flash Point · 2건

160 °F (NFPA, 2010)

71 °C c.c.

Boiling Point · 2건

158-160 °C

157-161 °C

Vapor DensityRelative vapor density (air = 1): 4
Vapor Pressure

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.1% (2 of 1799) of reports.

Warning

H226 (96.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P317, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1799 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 2-Heptanol

2-Heptanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Heptanol 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: 04-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23153

2-Heptanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelCombustible Liquid
Fire Hazards · 2건

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Combustible. Above 71 °C explosive vapour/air mixtures may be formed.

Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards Summary · 1건

A severe eye irritant; A respiratory tract and mild skin irritant; Can be absorbed through skin; Defats the skin; [ICSC] Based on animal studies, a severe eye irritant that may cause permanent damage; Inhalation of high concentrations may cause CNS depression; [CHEMINFO] An eye irritant; [eChemPortal: ERMA] An irritant; Can be absorbed through skin; [MSDSonline]

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Uses · 2건

Found in oil of cloves; [Merck Index] Used as solvent for resins and a frothing agent for ore flotation; [Hawley]

Plastic Composites Manufacturing [Category: Industry]

U.S. Production2023: 75,000 - <500,000 lb
Industry UsesNot Known or Reasonably Ascertainable
Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

2-Heptanol: ACTIVE

관련 반응

9건
반응 기록 만들기
HRID 61340 반응식
HRID 61340반응물로uspto-grants-2016_09
HRID 721352 반응식
HRID 721352반응물로uspto-grants-2006_11
HRID 721353 반응식
HRID 721353반응물로uspto-grants-2006_11
HRID 1155207 반응식
HRID 1155207생성물로uspto-grants-1981_11
HRID 1604135 반응식
HRID 1604135반응물로uspto-grants-1999_11
HRID 1604136 반응식
HRID 1604136반응물로uspto-grants-1999_11
HRID 1856406 반응식
HRID 1856406생성물로uspto-grants-1980_08
HRID 1939877 반응식
HRID 1939877반응물로uspto-grants-1997_12
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· 2건

1.23 [mmHg]

Vapor pressure, kPa at 20 °C: 0.133

Refractive Index1.421-1.422
Reactive GroupAlcohols and Polyols
Reactivity Profile · 1건

2-HEPTANOL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

Chemical DangersReacts with strong oxidants.
Air and Water ReactionsFlammable. Insoluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (96.6%)

안전 및 보호

Fire Fighting · 2건

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Use alcohol-resistant foam, dry powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4건

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink.

First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Safe StorageSeparated from strong oxidants.
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Spillage Disposal · 1건

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in covered containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Eye PreventionWear safety goggles.
Fire PreventionNO open flames. Above 71 °C use a closed system and ventilation.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves.
Ingestion PreventionDo not eat, drink, or smoke during work.

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms · 4건

Cough. Sore throat.

Dry skin.

Redness. Pain.

Burning sensation.

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H226