3-蒈烯

Description

3-carene is identified by CAS 13466-78-9, molecular formula C10H16 and molecular weight 136.13 g/mol. UNII H2M15SNR6N; ChEBI 35661; InChIKey BQOFWKZOCNGFEC-UHFFFAOYSA-N. Boiling Point: 338 °F at 760 mmHg (USCG, 1999); Boiling Point: 169.00 to 174.00 °C. @ 705.00 mm Hg; Boiling Point: 169-174 °C.

Identification

CAS Registry Number	13466-78-9
PubChem CID	26049
Molecular formula	C10H16
Molecular weight	136.13 g/mol
IUPAC name	3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
InChIKey	BQOFWKZOCNGFEC-UHFFFAOYSA-N
UNII (FDA)	H2M15SNR6N
ChEBI ID	CHEBI:35661
FEMA number	3821
JECFA number	1342

Computed Descriptors

Molecular Weight	136.23
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	136.125200510
Monoisotopic Mass	136.125200510
Topological Polar Surface Area	0
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	338 °F at 760 mmHg (USCG, 1999)
Boiling Point	169.00 to 174.00 °C. @ 705.00 mm Hg
Boiling Point	169-174 °C
Boiling Point	175-178 °C
Melting Point	< 25 °C
Density	0.860-0.868
Density	0.86
Vapor Pressure	3.72 [mmHg]
LogP	4.38
Refractive Index	1.468-1.478

Physical description & handling notes

• Carene is a colorless liquid with a sweet, turpentine-like odor. Floats on water. (USCG, 1999)
• Liquid
• Colorless liquid with a sweet, turpentine-like odor; [CAMEO]
• Solid
• Colourless to light pale liquid; fruity aroma
• Insoluble in water; soluble in benzene, pet ether

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents Lemon
GHS notification summary	0.2% (3 / 1766)

GHS Hazard Classification

GHS notification summary	0.2% (3 / 1766)
Reported hazard statements	H226 (97.7%), H304 (97.7%), H315 (95.4%), H317 (99.8%), H400 (10.8%), H410 (10.8%), H412 (75.3%)

Documented Uses

• Used as an intermediate and solvent; [Hawley] One of the major components of turpentine; [ACGIH]
• Painting (Solvents) [Category: Paint]
• Flavoring Agents -> JECFA Flavorings Index
• Information on 34 consumer products that contain 3-Carene in the following categories is provided:
• All Other Basic Organic Chemical Manufacturing
• Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-: ACTIVE

Synonyms

3-Carene; 13466-78-9; 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene; Delta-3-Carene; DELTA3-Carene; Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-; DTXSID4047462; Delta(3)-Carene; 3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene; DTXCID2027462; Bicyclo(4.1.0)hept-3-ene, 3,7,7-trimethyl-; FEMA NO. 3821; RefChem:25860; 236-719-3; 3-Karen; 3-Norcarene, 3,7,7-trimethyl-

Frequently Asked Questions

What are the CAS number and molecular formula of 3-carene?

CAS 13466-78-9; molecular formula C10H16; molecular weight 136.13 g/mol.

What other names is 3-carene known by?

3-Carene, 13466-78-9, 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene, Delta-3-Carene, DELTA3-Carene, Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-.

What is the regulatory status of 3-carene?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is 3-carene classified as hazardous?

0.2% of GHS notifications report no hazard classification (3 of 1766).

What are the key physical properties of 3-carene?

Boiling Point: 338 °F at 760 mmHg (USCG, 1999); Boiling Point: 169.00 to 174.00 °C. @ 705.00 mm Hg; Boiling Point: 169-174 °C; Boiling Point: 175-178 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.