基本情報
- CAS
6259-76-3- 標準SMILES
CCCCCCOC(=O)c1ccccc1O- InChIKey
DUKPKQFHJQGTGU-UHFFFAOYSA-N- 分子式
- C13H18O3
- 平均分子量
- 222.28 g/mol
- 単同位体質量
- 222.12559443
概要
Hexyl salicylic acid is a benzoate ester.
名称と識別子
- 優先名称
- Hexyl Salicylate
- IUPAC
- hexyl 2-hydroxybenzoate
- 現地名
- サリチル酸ヘキシル
- 英語名
- Hexyl salicylate
- 分子式
- C13H18O3
- 分子量
- 222.28
名称と別名
Hexyl salicylate6259-76-3N-HEXYL SALICYLATE1-Hexyl salicylateBenzoic acid, 2-hydroxy-, hexyl esterDTXSID40389248F78EY72YLDTXCID601473521RefChem:788304228-408-6Hexyl 2-hydroxybenzoatehexylsalicylat
名称をさらに表示
2-ヒドロキシ安息香酸ヘキシルサリチル酸ヘキシルヘキシルサリチレ-トヘキサン-1-イル＝2-ヒドロキシベンゾアートヘキシル=2-ヒドロキシベンゾアート1-hexylsalicylateSalicylic acid hexylSALICYLIC ACID N-HEXYL ESTERHexyl salicilateHEXYL SALICYLATE, N-HEXYL SALICYLATE 98+%
Hexyl salicylic acidSalicylic acid, hexyl estern-Hexyl 2-hydroxybenzoateBenzoic acid, hydroxy-, hexyl esterEINECS 228-408-6SALICYL ACID, N-HEXYL ESTERMFCD00036487Salicylic acid-hexyl ester
データベース識別子
- CAS
6259-76-3- PubChem CID
- 22629
- DTXSID
DTXSID4038924- ChEMBL
CHEMBL495972- ChEBI
物性
構造計算による物性
- XLogP
- 5.7
- 極性表面積
- 46.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 7
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 203
実験および物理化学的性質
CosmeticsCosmetic ingredients (Hexyl Salicylate) -> CIR (Cosmetic Ingredient Review)
FragrancesFragrance Ingredient (Hexyl salicylate) -> IFRA transparency List
PlasticizersPlasticizer
Flavoring AgentsEU Flavoring substances
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid; Dry Powder; Liquid; CBI
物理化学的性質
- 沸点
- 290 °C · 290 °C (lit.)
- 比重(密度)
- 1.04 g/mL · 1.04 g/mL at 25 °C (lit.)
- 蒸気圧
- 0.077 Pa · 0.077Pa at 23℃
- 屈折率
- 20 · n20/D 1.505(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- Chloroform (Sparingly), DMSO (Slightly)
- 酸解離定数(Pka)
- 8.17 · 8.17±0.30(Predicted)
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
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Warning
H315 (26.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: Benzoic acid, 2-hydroxy-, hexyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzoic acid, 2-hydroxy-, hexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-hydroxy-, hexyl 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)
REACH registered substance: Hexyl salicylate (EC: 228-408-6)
Hexyl salicylate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (26.9%)
Skin sensitization - Category 1A
Repr. 2
毒性情報
Toxicity Summary
The Panel concluded that the following ingredients are safe in cosmetics in the present practices of use and concentration described in the safety assessment, when formulated to be non-irritating and non-sensitizing, which may be based on a quantitative risk assessment (QRA)...Hexyl Salicylate...
Safe for use in cosmetics, with qualifications
化学と産業
用途と製造
UsesCIR ingredient: Hexyl Salicylate
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFragrance
Industry UsesOther
IFRA Fragrance Standards
Hexyl salicylate
Hexyl 2-hydroxybenzoate; Benzoic acid, 2-hydroxy-, hexyl ester; Hexyl o-hydroxybenzoate
IFRA_STD_042.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Household ProductsInformation on 223 consumer products that contain Hexyl Salicylate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Benzoic acid, 2-hydroxy-, hexyl ester: ACTIVE
Restriction Limits in the Finished Product (%)
0.092 [Products applied to the lips]
0.8 [Products applied to the axillae]
0.25 [Products applied to the face/body using fingertips]
6.5 [Products related to fine fragrances]
2.7 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.3 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
応用分野
関連反応
0 件
現在のフィルター条件では反応記録がありません。
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