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Key Documents

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W272906

Sigma-Aldrich

Methyl 2-octynoate

≥99%, stabilized, FCC, FG

Sinónimos:

Methyl heptine carbonate, NSC 72098

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About This Item

Fórmula lineal:
CH3(CH2)4C≡CCO2CH3
Número de CAS:
111-12-6
Peso molecular:
154.21
FEMA Number:
2729
Beilstein/REAXYS Number:
1756887
EC Number:
203-836-6
Council of Europe no.:
481
MDL number:
MFCD00009530
UNSPSC Code:
12164502
PubChem Substance ID:
24901294
Flavis number:
9.158
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 172.515

assay

≥99%

contains

α-tocopherol, synthetic as stabilizer

composition

contains IFRA and 1223/2009 restricted Methyl 2-octynoate

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

fragrance 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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pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

hcodes

H317,H410

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

Certificados de análisis (COA)

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[Cutaneous delayed hypersensitivity to methyl hepatine carbonate in pulmonary tuberculosis].
I Takanami
Nihon Kyobu Shikkan Gakkai zasshi, 24(10), 1066-1070 (1986-10-01)
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
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
Allergic contact dermatitis from methyl heptine and methyl octine carbonates.
J S English et al.
Contact dermatitis, 18(3), 174-175 (1988-03-01)
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