Description References
ChemicalBook > CAS DataBase List > METHYL 2-OCTYNOATE

METHYL 2-OCTYNOATE

Description References
Product Name
METHYL 2-OCTYNOATE
CAS No.
111-12-6
Chemical Name
METHYL 2-OCTYNOATE
Synonyms
METHYL HEPTINE CARBONATE;FOLIONE;Methyl heptyne carbonate;1-HEPTYNE-1-CARBOXYLIC ACID METHYL ESTER;FEMA 2729;NSC 72098;methyl2-oct;METHYLOCTYNOATE;OCTANOIC METHYL;FOLIONE 5093003
CBNumber
CB4471961
Molecular Formula
C9H14O2
Formula Weight
154.21
MOL File
111-12-6.mol
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METHYL 2-OCTYNOATE Property

Boiling point:
217-220 °C(lit.)
Density 
0.92 g/mL at 25 °C(lit.)
vapor pressure 
10.6-13.9Pa at 20-25℃
refractive index 
n20/D 1.446(lit.)
FEMA 
2729 | METHYL 2-OCTYNOATE
Flash point:
192 °F
storage temp. 
-20°C
solubility 
Chloroform (Slightly), Methanol (Slightly)
form 
Liquid
color 
Clear Colourless
Odor
at 1.00 % in dipropylene glycol. green leafy waxy violet cucumber
Odor Type
green
biological source
synthetic
JECFA Number
1357
BRN 
1756887
LogP
3 at 20℃ and pH7
CAS DataBase Reference
111-12-6(CAS DataBase Reference)
EPA Substance Registry System
2-Octynoic acid, methyl ester (111-12-6)
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Safety

Hazard Codes 
Xn
Risk Statements 
22-38
Safety Statements 
26-36
WGK Germany 
2
RTECS 
RI2735000
TSCA 
Yes
HS Code 
29161900
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H317May cause an allergic skin reaction

H410Very toxic to aquatic life with long lasting effects

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P272Contaminated work clothing should not be allowed out of the workplace.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P333+P313IF SKIN irritation or rash occurs: Get medical advice/attention.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W272906
Product name
Methyl 2-octynoate
Purity
≥99%, stabilized, FCC, FG
Packaging
100g
Price
$66.6
Updated
2024/03/01
Sigma-Aldrich
Product number
W272906
Product name
Methyl 2-octynoate
Purity
≥99%, stabilized, FCC, FG
Packaging
1kg
Price
$380
Updated
2024/03/01
Sigma-Aldrich
Product number
W272906
Product name
Methyl 2-octynoate
Purity
≥99%, stabilized, FCC, FG
Packaging
5kg
Price
$1870
Updated
2024/03/01
Sigma-Aldrich
Product number
68982
Product name
Methyl 2-octynoate
Purity
analytical standard
Packaging
1ml
Price
$114
Updated
2024/03/01
Sigma-Aldrich
Product number
277509
Product name
Methyl 2-octynoate
Purity
99%
Packaging
25ml
Price
$143
Updated
2024/03/01
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METHYL 2-OCTYNOATE Chemical Properties,Usage,Production

Description

Methyl 2-octynoate (also known as methyl 2-caprylate) is a kind of fatty acid ester formed by the esterfication between methanol and 2 -octynoate. It is a kind of useful flavor and fragrance agent.

References

Barbieri, Germana, et al. "Flavor compounds of dry-cured ham." Journal of Agricultural and Food Chemistry 40.12 (1992): 2389 -2394.
Maga, Joseph A. "Egg and egg product flavor." Journal of Agricultural and Food Chemistry 30.1 (1982): 9-14.

Description

Methyl 2-octynoate has an odor similar to violets on dilution, and if concentrated, a powerful and unpleasant odor. It has a wineberry flavor (muscatel). It may be prepared from heptaldehyde via heptyne and heptyne carboxylic acid; the acid is subsequently esterified.

Chemical Properties

Methyl-2-octynoate has an odor similar to violets on dilution. If concentrated, it has a powerful and unpleasant odor. This compound has a wine-berry flavor (muscatel).

Chemical Properties

Colorless liquid; strong violet-type odor. Sol-uble in most fixed oils and mineral oil; soluble infive parts of 70% alcohol. Combustible.

Uses

Perfumery, flavoring.

Uses

Methyl 2-octynoate may be used as a fragrance allergen standard for the quantification of the analyte in cosmetics using chromatography techniques.

Preparation

From heptaldehyde via heptyne and heptyne carboxylic acid; the acid is subsequently

Definition

ChEBI: Methyl 2-octynoate is a fatty acid ester.

Aroma threshold values

Detection: 25 ppb

Taste threshold values

Taste characteristics at 15.0 ppm: green, vegetative, fatty, fruity, rindy, melon and cucumber with mushroom and dairy nuances

General Description

Methyl 2-octynoate has been quantitated as suspected allergen in cosmetic products by headspace-programmed temperature vaporization-fast gas chromatography-quadrupole mass spectrometry. It participates in nickel-catalyzed carbocyclization of 2-iodoacetophenone to yield a 2,3-disubstituted indenol.

Trade name

Folione® (Givaudan).

Contact allergens

This perfumed molecule belongs to the list of 26 allergens that have to be indicated by name on the ingredients list of cosmetics in the EU

Safety Profile

Moderately toxic by ingestion and skin contact. A moderate skin and eye irritant. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

METHYL 2-OCTYNOATE Preparation Products And Raw materials

Raw materials

Heptaldehyde

Preparation Products

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View Lastest Price from METHYL 2-OCTYNOATE manufacturers

Hebei Zhuanglai Chemical Trading Co Ltd
Product
METHYL 2-OCTYNOATE 111-12-6
Price
US $45.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 tons
Release date
2024-12-11
airuikechemical co., ltd.
Product
methyl heptine carbonate 111-12-6
Price
US $0.00-0.00/Kg
Min. Order
1Kg
Purity
99.9%
Supply Ability
200 tons
Release date
2024-04-07
Hebei Weibang Biotechnology Co., Ltd
Product
METHYL 2-OCTYNOATE 111-12-6
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-11-15

111-12-6, METHYL 2-OCTYNOATERelated Search:

METHYL 2-KETOBUTYRATE, 96 2-Ethylhexyl acrylate Trichloroethylene 2-OCTYNE Caprylic acid methyl ester Octanoic acid 2-OCTYNOIC ACID ETHYL 2-OCTYNOATE METHYL 2-NONYNOATE METHYL 2-OCTYNOATE ETHYL 2-NONYNOATE 2-OCTYNOIC ACID ISOAMYL ESTER 2-UNDECYNOIC ACID ETHYL ESTER 2-NONYNOIC ACID CIS-3-HEXEN-1-YL ESTER 2-UNDECYNOIC ACID METHYL ESTER 2-OCTYNOIC ACID CIS-3-HEXEN-1-YL ESTER AKOS 90720

  • TIMTEC-BB SBB009081
  • 2-OCTYNOIC ACID METHYL ESTER
  • Methyl 2-octinate
  • Methyl 2-octynate
  • Methyl hept-1-yne-1-carboxylate
  • Methyl heptyne carbonate
  • methyl2-oct
  • methyl2-octinate
  • 1-HEPTYNE-1-CARBOXYLIC ACID METHYL ESTER
  • FEMA 2729
  • FOLIONE
  • HEPTYNE CARBOXYLIC ACID METHYL ESTER
  • METHYL HEPTINE CARBONATE
  • METHYLOCTYNOATE
  • METHYL 2-OCTYNOATE
  • METHYL 1-HEPTYNE-1-CARBOXYLATE
  • METHYL-2-OCTNOATE
  • METHYL-2-OCTYNOATE(SG)
  • METHYLHEPTIDINECARBONATE
  • METHYLHEPTINCARBONAT
  • Methyloct-2-inoat
  • 2-OCTYNOIC ACID METHYL ESTER 97+%
  • 2-Octynoic acid methyl
  • NSC 72098
  • Methyl 2-octynoate 99%
  • Methyl-2-octanoate
  • 2-Xin Methyl acetylene
  • 1-Heptyne-1-carboxylic Acid Methyl Ester Methyl 1-Heptyne-1-carboxylate 2-Octynoic Acid Methyl Ester
  • Methyl 2-OCLynoate
  • Methylhept-1-yne-1-carboxylate
  • methyloct-2-ynoate
  • methyloct-2-ynoate*
  • methylpentylacetylenecarboxylate
  • Oct-2-ynoicacidmethylester
  • Vert de violette, artificial
  • Vert de violette, artificial (French)
  • METHYL 2-OCTYNOATE 99+% FCC
  • HEPTYNE CARBOXYLIC ACID METHYLSTER
  • METHYL 2-OCTYNOATE, 98%METHYL 2-OCTYNOATE, 98%METHYL 2-OCTYNOATE, 98%METHYL 2-OCTYNOATE, 98%
  • Methyl heptyne carbonate@1000 μg/mL in Ethanol
  • Methyl2-Octynoate&gt
  • Methyl 2-octynoate Solution, 100μg/mL
  • METHYL 2-OCTYNOATE USP/EP/BP
  • OCTANOIC METHYL
  • FOLIONE 5093003
  • 111-12-6
  • 0111-12-06
  • CH3CH24CCCO2CH3
  • CH3CH24C8801CCO2CH3
  • CH3CH24CCCOOCH3
  • Acetylenic Carboxylic Acids & Their Derivatives
  • Acetylenes
  • Carbonyl Compounds
  • C8 to C9
  • Building Blocks
  • Organic Building Blocks
  • Esters
  • Acetylenes