基本情報
- CAS
67634-01-9- 標準SMILES
C=CCOC(=O)COCC(C)CC- InChIKey
GWFJURKHPPFFMD-UHFFFAOYSA-N- 分子式
- C10H18O3
- 平均分子量
- 186.25 g/mol
- 単同位体質量
- 186.12559443
名称と識別子
- 優先名称
- Allyl (2-methylbutoxy)acetate
- IUPAC
- prop-2-enyl 2-(2-methylbutoxy)acetate
- 現地名
- (2-メチルブチルオキシ)酢酸2-プロペニル
- 英語名
- Allyl (2-methylbutoxy)acetate
- 分子式
- C10H18O3
- 分子量
- 186.25
名称と別名
Allyl (2-methylbutoxy)acetate67634-01-9Acetic acid, 2-(2-methylbutoxy)-, 2-propen-1-yl esterEINECS 266-804-0U7648V40M4Acetic acid, 2-(2-methylbutoxy)-, 2-propenyl esterDTXSID00867291RefChem:554772DTXCID50815484266-804-0prop-2-enyl 2-(2-methylbutoxy)acetateallyl 2-(2-methylbutoxy)acetate
名称をさらに表示
(2-メチルブトキシ)酢酸アリル(2-メチルブチルオキシ)酢酸2-プロペニルプロパ-2-エン-1-イル＝2-（2-メチルブトキシ）アセタートALLYL AMYL GLYCOLATEAllyl-(2-methylbutoxy)acetatGLYCOLIC ACID, 2-PENTYLOXY:ALLYL ESTER(2-Methylbutoxy)acetic acid allyl ester(2-methylbutoxy)-aceticaci2-propenylesterAceticacid,(2-methylbutoxy)-,2-propenylester(2-Methylbutyloxy)acetic acid 2-propenyl ester
Acetic acid, (2-methylbutoxy)-, 2-propenyl esterUNII-U7648V40M4SCHEMBL2985485GWFJURKHPPFFMD-UHFFFAOYSA-NAKOS015916688Prop-2-en-1-yl (2-methylbutoxy)acetateNS00011945Q27290782
データベース識別子
- CAS
67634-01-9- PubChem CID
- 106730
- DTXSID
DTXSID00867291- UNII
- U7648V40M4
- EC Number
- 266-804-0
- Nikkaji
- J333.239J
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 8
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 154
実験および物理化学的性質
FragrancesFragrance Ingredient (Allyl (2-methylbutoxy)acetate) -> IFRA transparency List
Physical DescriptionCBI
物理化学的性質
- 沸点
- 239.5 · 239.5±15.0 °C(Predicted)
- 比重(密度)
- 0.936 · 0.936±0.06 g/cm3(Predicted)
- 化粧品成分の機能
- 香料
- LogP
- 2.553 · 2.553 (est)
- EPAの化学物質情報
- 2 · Acetic acid, (2-methylbutoxy)-, 2-propenyl ester (67634-01-9)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (1 of 129) of reports.
Danger
H302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P273, P280, P284, P301+P317, P302+P352, P304+P340, P316, P317, P319, P320, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 129 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
危険有害性情報
Regulatory Information
Chemical: Acetic acid, 2-(2-methylbutoxy)-, 2-propenyl ester
Acetic acid, 2-(2-methylbutoxy)-, 2-propen-1-yl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-(2-methylbutoxy)-, 2-propen-1-yl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Allyl (2-methbutoxy)acetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Allyl esters of acetic acid ethers: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (99.2%)
Acute toxicity (ingestion) - category 4
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 25 consumer products that contain Allyl 2-Methylbutoxyacetate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Acetic acid, 2-(2-methylbutoxy)-, 2-propen-1-yl ester: ACTIVE
サプライヤー7 社
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上海问彩新材料科技有限公司15721586846 · [email protected]
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