3-Heptanone

Modify Date: 2026-06-30 12:41:59

3-Heptanone Structure
3-Heptanone structure
 Common Name 3-Heptanone
CAS Number 106-35-4 Molecular Weight 114.186
Density 0.8±0.1 g/cm3 Boiling Point 148.5±3.0 °C at 760 mmHg
Molecular Formula C7H14O Melting Point -39 °C
MSDS Chinese USA Flash Point 41.1±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07		 Signal Word Warning

Summary: 3-Heptanone, also known as 3-Heptanone, has a CAS number of 106-35-4, with a molecular formula of C7H14O and molecular weight of 114.186. It is a colorless liquid with a melting point of -39 °C and a boiling point of 148.5±3.0 °C, and a density of 0.8±0.1 g/cm3. It is mainly used as a solvent for nitrocellulose and in organic synthesis, and can also be used as a food flavoring. For research-use only, not for medical or clinical usage.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name heptan-3-one
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 0.8±0.1 g/cm3
Boiling Point 148.5±3.0 °C at 760 mmHg
Melting Point -39 °C
Molecular Formula C7H14O
Molecular Weight 114.186
Flash Point 41.1±0.0 °C
Exact Mass 114.104462
PSA 17.07000
LogP 1.97
Vapour Pressure 4.2±0.3 mmHg at 25°C
Index of Refraction 1.404
InChIKey NGAZZOYFWWSOGK-UHFFFAOYSA-N
SMILES CCCCC(=O)CC
Stability Stable. Flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. May form peroxides in storage if in contact with air - store under inert gas.
Water Solubility 3.3 g/L (20 ºC)

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ5250000
CHEMICAL NAME :
3-Heptanone
CAS REGISTRY NUMBER :
106-35-4
BEILSTEIN REFERENCE NO. :
0506161
LAST UPDATED :
199712
DATA ITEMS CITED :
31
MOLECULAR FORMULA :
C7-H14-O
MOLECULAR WEIGHT :
114.21
WISWESSER LINE NOTATION :
4V2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 3/12/1969
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,731,1978
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,731,1978
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,286,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2760 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,60,1949
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2000 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,343,1949
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>20 mL/kg
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 3/12/1969 *** REVIEWS *** ACGIH TLV-TWA 234 mg/m3 (50 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 50 ppm (230 mg/m3) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,105,1971 OSHA PEL (Gen Indu):8H TWA 50 ppm (230 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 50 ppm (230 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 50 ppm (230 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 50 ppm (230 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 50 ppm (230 mg/m3) JAN 1993 OEL-BELGIUM:TWA 50 ppm (234 mg/m3) JAN 1993 OEL-DENMARK:TWA 50 ppm (230 mg/m3) JAN 1993 OEL-FINLAND:TWA 50 ppm (230 mg/m3);STEL 75 ppm (345 mg/m3) JAN 1993 OEL-FRANCE:TWA 50 ppm (230 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 50 ppm (230 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 50 ppm (230 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 50 ppm (230 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 50 ppm (230 mg/m3);STEL 75 ppm JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO ETHYL BUTYL KETONE-air:10H TWA 50 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 36330 No. of Facilities: 320 (estimated) No. of Industries: 8 No. of Occupations: 14 No. of Employees: 1923 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 36330 No. of Facilities: 2103 (estimated) No. of Industries: 20 No. of Occupations: 9 No. of Employees: 11318 (estimated) No. of Female Employees: 1164 (estimated)

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning
Hazard Statements H226-H319-H332
Precautionary Statements P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R10;R20;R36
Safety Phrases S36-S24
RIDADR UN 2810 6.1/PG 3
WGK Germany 2
RTECS MJ5250000
Packaging Group III
Hazard Class 3
HS Code 29141990

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2914190090
Summary 2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

 Articles4

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Evaluation of injection methods for fast, high peak capacity separations with low thermal mass gas chromatography.

J. Chromatogr. A. 1392 , 82-90, (2015)

Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct ...

Analysis of volatile organic compounds liberated and metabolised by human umbilical vein endothelial cells (HUVEC) in vitro.

Cell Biochem. Biophys. 71(1) , 323-9, (2015)

Gas chromatography with mass spectrometric detection combined with head-space needle trap extraction as the pre-concentration technique was applied to identify and quantify volatile organic compounds ...

Further studies on ketone neurotoxicity and interactions.

Toxicol. Appl. Pharmacol. 72(2) , 201-9, (1984)

Ethyl n-butyl ketone (EBK, 3-heptanone) has not been reported to produce neurotoxicity in previous studies when it was given by oral or inhalation routes. In the present study, EBK given by gavage at ...

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Ethyl butyl ketone
UNII-10GA6SR3AT
Butyl ethyl ketone,Ethyl butyl ketone
EINECS 203-388-1
Ethylbutylcetone
MFCD00009483
Butyl ethyl ketone
heptan-3-one
3-Heptanone

 3-Heptanone | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What English synonyms does heptan-3-one have?
A: English synonyms of heptan-3-one: Ethyl butyl ketone, UNII-10GA6SR3AT, Butyl ethyl ketone,Ethyl butyl ketone, EINECS 203-388-1, Ethylbutylcetone, MFCD00009483, Butyl ethyl ketone, heptan-3-one, 3-Heptanone.
Q: What is the boiling point of heptan-3-one?
A: Boiling point of heptan-3-one is 148.5±3.0 °C at 760 mmHg.
Q: What is the safety information for heptan-3-one?
A: Safety information for heptan-3-one: S36-S24.
Q: What is the InChIKey of heptan-3-one?
A: InChIKey of heptan-3-one is NGAZZOYFWWSOGK-UHFFFAOYSA-N.
Q: What is the molecular weight of heptan-3-one?
A: Molecular weight of heptan-3-one is 114.186.
Q: What is the English name of heptan-3-one?
A: The English name of heptan-3-one is heptan-3-one.
Q: What is the LogP of heptan-3-one?
A: LogP of heptan-3-one is 1.97.
Q: What are the upstream materials of heptan-3-one?
A: Related upstream materials(CAS) of heptan-3-one: 4938-52-7;123-05-7;4164-92-5;589-82-2;2108-81-8;34910-43-5;917-54-4;142-82-5;66227-99-4;87722-28-9.
Q: What is the molecular formula of heptan-3-one?
A: Molecular formula of heptan-3-one is C7H14O.
Q: What is the CAS number of heptan-3-one?
A: CAS number of heptan-3-one is 106-35-4.

 3-Heptanonefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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Chemsrc provides 3-Heptanone(CAS#:106-35-4) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of 3-Heptanone are included as well.>> amp version: 3-Heptanone

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