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Merck
CN
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文件

W272906

Sigma-Aldrich

2-辛炔酸甲酯

≥99%, stabilized, FCC, FG

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别名:
Methyl heptine carbonate, NSC 72098
线性分子式:
CH3(CH2)4C≡CCO2CH3
CAS号:
111-12-6
分子量:
154.21
FEMA编号:
2729
Beilstein:
1756887
EC 号:
203-836-6
欧洲委员会编号:
481
MDL编号:
MFCD00009530
UNSPSC代码:
12164502
PubChem化学物质编号:
24901294
Flavis编号:
9.158
NACRES:
NA.21

生物来源

synthetic

质量水平

400

等级

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

管理合规性

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

检测方案

≥99%

包含

α-tocopherol, synthetic as stabilizer

组成

contains IFRA and 1223/2009 restricted Methyl 2-octynoate

折射率

n20/D 1.446 (lit.)

bp

217-220 °C (lit.)

密度

0.92 g/mL at 25 °C (lit.)

应用

flavors and fragrances

文件

see Safety & Documentation for available documents

食品过敏原

no known allergens

致敏芳香化合物

no known allergens

性状检查

green; vegetable; violet

SMILES字符串

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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相关类别

象形图

Exclamation markEnvironment
GHS07,GHS09

警示用语：

Warning

危险声明

H317,H410

危险分类

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

WGK

WGK 2

闪点(°F)

192.2 °F

闪点(°C)

89 °C

个人防护装备

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

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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
Allergic contact dermatitis from methyl heptine and methyl octine carbonates.
J S English et al.
Contact dermatitis, 18(3), 174-175 (1988-03-01)
[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
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
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