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W272906

Sigma-Aldrich

Methyl 2-octynoate

≥99%, stabilized, FCC, FG

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Synonym(s):
Methyl heptine carbonate, NSC 72098
Linear Formula:
CH3(CH2)4C≡CCO2CH3
CAS Number:
Molecular Weight:
154.21
FEMA Number:
2729
Beilstein/REAXYS Number:
1756887
EC Number:
Council of Europe no.:
481
MDL number:
PubChem Substance ID:
Flavis number:
9.158
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Halal
Kosher

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 172.515

assay

≥99%

contains

α-tocopherol, synthetic as stabilizer

refractive index

n20/D 1.446 (lit.)

bp

217-220 °C (lit.)

density

0.92 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

green; vegetable; violet

SMILES string

CCCCCC#CC(=O)OC

InChI

1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3

InChI key

FRLZQXRXIKQFNS-UHFFFAOYSA-N

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This Item
W272604W364304W334308
Methyl 2-octynoate ≥99%, stabilized, FCC, FG

W272906

Methyl 2-octynoate

Methyl 2-nonynoate 99%, FG

W272604

Methyl 2-nonynoate

Ethyl-trans-2-octenoate ≥98%, FG

W364304

Ethyl-trans-2-octenoate

Ethyl 3-(methylthio)propionate ≥99%, FCC, FG

W334308

Ethyl 3-(methylthio)propionate

organoleptic

green; vegetable; violet

organoleptic

green; floral; violet

organoleptic

fatty; green; fruity

organoleptic

fruity; pineapple; sulfurous

biological source

synthetic

biological source

synthetic

biological source

synthetic

biological source

synthetic

food allergen

no known allergens

food allergen

no known allergens

food allergen

no known allergens

food allergen

no known allergens

agency

meets purity specifications of JECFA

agency

meets purity specifications of JECFA

agency

meets purity specifications of JECFA

agency

meets purity specifications of JECFA

documentation

see Safety & Documentation for available documents

documentation

see Safety & Documentation for available documents

documentation

see Safety & Documentation for available documents

documentation

see Safety & Documentation for available documents

pictograms

Exclamation markEnvironment

signalword

Warning

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 3 - Skin Sens. 1A

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

192.2 °F - closed cup

flash_point_c

89 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Allergic contact dermatitis from methyl heptine and methyl octine carbonates.
J S English et al.
Contact dermatitis, 18(3), 174-175 (1988-03-01)
I Takanami et al.
Gan no rinsho. Japan journal of cancer clinics, 30(4), 340-343 (1984-04-01)
Results of methyl heptine carbonate skin tests were compared with DNCB skin test results in 155 patients with chest diseases. Reactions to methyl heptine carbonate and DNCB were similar in 142 of 155 patients (92%). Forty-two lung cancer patients and
Andre H St Amant et al.
Journal of the American Chemical Society, 141(34), 13619-13624 (2019-08-08)
Herein, we report the development of a scalable and synthetically robust building block based on norbornadiene (NBD) that can be broadly incorporated into a variety of macromolecular architectures using traditional living polymerization techniques. By taking advantage of a selective and
[Cutaneous delayed hypersensitivity to methyl hepatine carbonate in pulmonary tuberculosis].
I Takanami
Nihon Kyobu Shikkan Gakkai zasshi, 24(10), 1066-1070 (1986-10-01)
Jurij J Hostynek et al.
Cutaneous and ocular toxicology, 25(4), 259-271 (2006-12-13)
The fragrance material methyl heptine carbonate has been cited as a moderately frequent cause of cosmetics-related allergic contact dermatitis. A review of the literature shows that when the underlying clinical data are analyzed, there is only one published case where

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