Dibenzyl ether (CAS 103-50-4) — formula C14H14O, molecular weight 198.10 g/mol.
Documented applications: Uses: Used as a plasticizer for nitrocellulose and synthetic rubber, a perfume solvent, a flavoring agent, and in cements, [HSDB], PLASTICIZER FOR NITROCELLULOSE, SOLVENT IN PERFUMERY, PLASTICIZER FOR SYNTHETIC RUBBER, IT IS USED PARTICULARLY IN CEMENTS BASED ON POLYVINYL ACETATE EMULSIONS..., SYNTHETIC FLAVORING INGREDIENT, For more Uses (Complete) data for DIBENZYL ETHER (11 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Methods of Manufacturing: ...by reduction of benzaldehyde in presence of (Co(CO)4)2., AS BY-PRODUCT IN PREPN OF BENZYL ALCOHOL BY HYDROLYSIS OF BENZYL CHLORIDE, BY USING CONCN CAUSTIC INSTEAD OF CARBONATE, YIELDS CAN BE IMPROVED TO 50% OR HIGHER., IFRA Fragrance Standards: Dibenzyl ether, Phenylmethoxymethylbenzene, Benzene, 1, 1'-[oxybis(methylene)]bis-, Benzyl ether, Benzyl oxide, Dibenzyl oxide, 1'-[Oxybis(methylene)]dibenzene, IFRA_STD_027.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, DERMAL SENSITIZATION AND SYSTEMIC TOXICITY, Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards., Restriction Limits in the Finished Product (%): 4e-05 [Products applied to the lips], 0.0028 [Products applied to the axillae], 0.0002 [Products applied to the face, body using fingertips], 0.012 [Products related to fine fragrances], 0.0023 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.00024 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.00032 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 8.1e-05 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.0023 [Products with oral and lip exposure], 0.00093 [Rinse-off products applied to the hair with some hand contact], 0.00093 [Leave-on products applied to the hair with some hand contact], 8.1e-05 [Products with significant anogenital exposure (tampon)], 0.0037 [Products with body and hand exposure, primarily rinse off], 0.0037 [Household care products with mostly hand contact (excluding aerosol, spray products)], 0.0037 [Household care products with mostly hand contact (household aerosol, 8.1e-05 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 8.1e-05 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], 0.24 [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], Formulations, Preparations: GRADE: TECHNICAL, U.S. Production: 2021: 700 lb, (1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS, (1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS, General Manufacturing Information: Benzene, 1'-[oxybis(methylene)]bis-: ACTIVE, IT PLASTICIZES VINYL RESINS, PARTICULARLY POLYVINYL ACETATE, GIVING FLEXIBLE FILMS....
Dibenzyl ether is a chemical compound with CAS registry number 103-50-4 and molecular formula C14H14O (molecular weight 198.10 g/mol).
CAS number: 103-50-4
Its molecular formula C14H14O comprises 14 C, 14 H, 1 O atoms.
Also known as: Dibenzyl ether · Benzyl Ether
The CAS registry number of Dibenzyl ether is 103-50-4.
Molecular formula C14H14O, molecular weight 198.10 g/mol.
It is also registered under: Dibenzyl ether, Benzyl Ether.
Recorded applications: Uses: Used as a plasticizer for nitrocellulose and synthetic rubber, a perfume solvent, a flavoring agent, and in cements, [HSDB], PLASTICIZER FOR NITROCELLULOSE, SOLVENT IN PERFUMERY, PLASTICIZER FOR SYNTHETIC RUBBER, IT IS USED PARTICULARLY IN CEMENTS BASED ON POLYVINYL ACETATE EMULSIONS..., SYNTHETIC FLAVORING INGREDIENT, For more Uses (Complete) data for DIBENZYL ETHER (11 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Methods of Manufacturing: ...by reduction of benzaldehyde in presence of (Co(CO)4)2., AS BY-PRODUCT IN PREPN OF BENZYL ALCOHOL BY HYDROLYSIS OF BENZYL CHLORIDE, BY USING CONCN CAUSTIC INSTEAD OF CARBONATE, YIELDS CAN BE IMPROVED TO 50% OR HIGHER., IFRA Fragrance Standards: Dibenzyl ether, Phenylmethoxymethylbenzene, Benzene, 1, 1'-[oxybis(methylene)]bis-, Benzyl ether, Benzyl oxide, Dibenzyl oxide, 1'-[Oxybis(methylene)]dibenzene, IFRA_STD_027.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, DERMAL SENSITIZATION AND SYSTEMIC TOXICITY, Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards., Restriction Limits in the Finished Product (%): 4e-05 [Products applied to the lips], 0.0028 [Products applied to the axillae], 0.0002 [Products applied to the face, body using fingertips], 0.012 [Products related to fine fragrances], 0.0023 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.00024 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.00032 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 8.1e-05 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.0023 [Products with oral and lip exposure], 0.00093 [Rinse-off products applied to the hair with some hand contact], 0.00093 [Leave-on products applied to the hair with some hand contact], 8.1e-05 [Products with significant anogenital exposure (tampon)], 0.0037 [Products with body and hand exposure, primarily rinse off], 0.0037 [Household care products with mostly hand contact (excluding aerosol, spray products)], 0.0037 [Household care products with mostly hand contact (household aerosol, 8.1e-05 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 8.1e-05 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], 0.24 [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], Formulations, Preparations: GRADE: TECHNICAL, U.S. Production: 2021: 700 lb, (1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS, (1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS, General Manufacturing Information: Benzene, 1'-[oxybis(methylene)]bis-: ACTIVE, IT PLASTICIZES VINYL RESINS, PARTICULARLY POLYVINYL ACETATE, GIVING FLEXIBLE FILMS....
Public-database records for Dibenzyl ether (CAS 103-50-4), reproduced here for independent cross-checking.
| GHS notification summary | 0.1% (3 / 2222) |
|---|---|
| Reported hazard statements | H317 (65.6%), H319 (21.6%), H400 (68.5%), H410 (68.5%), H411 (11.7%), H315 (100%), H335 (100%), H413 (100%) |
This chemical does not meet GHS hazard criteria for 0.1% (3 of 2222) of reports.
H317 (65.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit 1,1'-(OXYBIS(METHYLENE))BIS-BENZENE |
|---|---|
| GHS notification summary | 0.1% (3 / 2222) |
| 沸点 | 295.00 to 298.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 295-298 °C |
| 熔点 | 38.3 °F (NTP, 1992) |
| 熔点 | 3.6 °C |
| 熔点 | 3 - 4 °C |
| 闪点 | 275 °F (NTP, 1992) |
| 闪点 | 135 °C |
| 闪点 | 275 DEG (135 °C) (CLOSED CUP) |
| 溶解度 | 0.04 mg/mL at 35 °C |
| 密度 | 0.99735 AT 25 °C/4 °C |
| CAS Registry Number | 103-50-4 |
|---|---|
| PubChem CID | 7657 |
| 分子式 | C14H14O |
| 分子量 | 198.10 g/mol |
| IUPAC 名称 | phenylmethoxymethylbenzene |
| InChIKey | MHDVGSVTJDSBDK-UHFFFAOYSA-N |
| UNII（FDA） | 2O6CNO27RJ |
| ChEBI 编号 | CHEBI:87411 |
| FEMA 编号 | 2371 |
| JECFA 编号 | 1256 |
DIBENZYL ETHER; Benzyl ether; 103-50-4; Benzyl oxide; Dibenzylether; Plastikator BA; BA (plasticizer); Plasticator BA; Ether, dibenzyl; FEMA No. 2371; FEMA Number 2371; 1,1-(Oxybis(methylene))bisbenzene; DTXSID5025819; Benzene, 1,1'-(oxybis(methylene))bis-; Benzene, 1,1'-[oxybis(methylene)]bis-; Benzene, 1,1'-oxybis(methylene-
| 分子量 | 198.26 |
|---|---|
| XLogP3 | 3.3 |
| 氢键供体数 | 0 |
| 氢键受体数 | 1 |
| 可旋转键数 | 4 |
| 精确质量 | 198.104465066 |
| 单同位素质量 | 198.104465066 |
| 拓扑极性表面积 | 9.2 |
| 重原子数 | 15 |
| 形式电荷 | 0 |
Dibenzyl ether is identified by CAS 103-50-4, molecular formula C14H14O and molecular weight 198.10 g/mol. UNII 2O6CNO27RJ; ChEBI 87411; InChIKey MHDVGSVTJDSBDK-UHFFFAOYSA-N. 沸点: 295.00 to 298.00 °C. @ 760.00 mm Hg; 沸点: 295-298 °C; 熔点: 38.3 °F (NTP, 1992).
Source: PubChem / Wikidata; the batch COA governs where values differ.
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