n-ウンデカン酸 メチル

Methyl undecanoate

HCID 15607
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基本情報

CAS
1731-86-8
標準SMILES
CCCCCCCCCCC(=O)OC
InChIKey
XPQPWPZFBULGKT-UHFFFAOYSA-N
分子式
C12H24O2
平均分子量
200.32 g/mol
単同位体質量
200.17763

名称と識別子

優先名称
Methyl undecanoate
IUPAC
methyl undecanoate
現地名
n-ウンデカン酸 メチル
英語名
METHYL UNDECANOATE
分子式
C12H24O2
分子量
200.32

名称と別名

METHYL UNDECANOATEUndecanoic acid, methyl esterMethyl n-undecanoateEINECS 217-053-2UNII-K67YZ97W6Cn-Undecanoic acid methyl esterBRN 1762129K67YZ97W6CMethyl ester of undecanoic acidDTXSID3061922CHEBI:875273-02-00-00858 (Beilstein Handbook Reference)
名称をさらに表示
n-ウンデカン酸 メチルn-ヘンデカン酸メチルウンデカン酸メチルメチル＝ウンデカノアートウンデカン酸メチル標準品ウンデカン酸メチルエステルウンデカン酸メチル, 10.0 mg/mL in Hexaneメチル ウンデカノアートウンデカン酸メチルエステル標準品MethylundecylateMethyl undecanateUNDECANOIC METHYLC11:0 METHYL ESTERmethyln-undecanoateRARECHEM AL BF 0156Methyl Undecanoate CRSC11:0 Undecanoic Methyl
RefChem:158053DTXCID1035523217-053-2XPQPWPZFBULGKT-UHFFFAOYSA-N1731-86-8Undecanoic acid methyl esterundecanoic acid-methyl esterMFCD00008957

データベース識別子

CAS
1731-86-8
PubChem CID
15607
DTXSID
DTXSID3061922
ChEBI
CHEBI:87527
UNII
K67YZ97W6C
EC Number
217-053-2
Nikkaji
J99.610F

物性

構造計算による物性

XLogP
5.2
極性表面積
26.3 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
10
重原子数
14

実験および物理化学的性質

Kovats Retention Index · 3 件

1410；1407；1410；1411；1422；1407；1419；1420；1406；1406；1407；1414；1405；1405；1408；1410；1404.8；1409.8

1421.5；1422.5；1427；1429；1429；1432；1427；1427.8；1430

1694；1703；1710；1665；1695；1699；1732；1672；1686.7；1696.6；1701.8；1704.6；1705.7；1706.6；1711.6；1728.7；1710；1732

物理化学的性質

融点
-10 °C · -10°C
沸点
247 · 247-249 °C
比重(密度)
0.872 g/mL · 0.872 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.429(lit.)
闪点
109 °C · 109°C
貯蔵温度
2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 77.8% (7 of 9) of all reports.

Danger

H318 (22.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 7 of 9 reports by companies.；There is 1 notification provided by 2 of 9 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Chemical: Undecanoic acid, methyl ester

Undecanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Undecanoic acid, methyl ester: Human health tier I assessment；Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesEye Dam. 1 (22.2%)

法規制情報

Regulatory Information · 2 件

Chemical: Undecanoic acid, methyl ester

Undecanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
3
tsca
TSCA listed
rtecs
YQ2573000
毒性
mouse,LDLo,intravenous,48mg/kg (48mg/kg),Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966.
hs_code
29159000
risk_code
41

化学と産業

用途と製造

General Manufacturing InformationUndecanoic acid, methyl ester: ACTIVE

応用分野

使用Methyl undecanoate is used as plasticizer in polymers. It is used as fragrance agent in aroma and flavor Chemicals.

上流・下流製品情報

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

補足説明

定義ChEBI: A fatty acid methyl ester of undecanoic acid.

関連反応

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