methylcyclohexadiene (CAS 30640-46-1) — formula C7H10, molecular weight 94.15; category organic chemicals.
| CAS Number | 30640-46-1 |
|---|---|
| Molecular Formula | C7H10 |
| Molecular Weight | 94.15 |
| Boiling Point | 118.00 to 120.00 °C. @ 760.00 mm Hg |
| LogP | 2.1 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 1, 3-Cyclohexadiene, 1-methyl-: INACTIVE, Cyclohexadiene, methyl-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 1, 3-Cyclohexadiene, 1-methyl-: INACTIVE, Cyclohexadiene, methyl-: ACTIVE.
methylcyclohexadiene is a carbon-based organic compound with CAS registry number 30640-46-1 and molecular formula C7H10 (molecular weight 94.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 30640-46-1
Its molecular formula C7H10 comprises 7 C, 10 H atoms.
Also known as: methylcyclohexadiene · 甲基环己二烯
Category: organic chemicals
The CAS registry number of methylcyclohexadiene is 30640-46-1.
Molecular formula C7H10, molecular weight 94.15.
It is also registered under: methylcyclohexadiene, 甲基环己二烯.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 1, 3-Cyclohexadiene, 1-methyl-: INACTIVE, Cyclohexadiene, methyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for methylcyclohexadiene (CAS 30640-46-1), compiled from public chemistry databases.
| CAS Registry Number | 30640-46-1 |
|---|---|
| PubChem CID | 121731 |
| Molecular formula | C7H10 |
| IUPAC name | 1-methylcyclohexa-1,3-diene |
| UNII (FDA) | NZ9H475GT1 |
| JECFA number | 1344 |
| Molecular Weight | 94.15 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 94.078250319 |
| Monoisotopic Mass | 94.078250319 |
| Topological Polar Surface Area | 0 |
| Heavy Atom Count | 7 |
| Boiling Point | 118.00 to 120.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 118-120 °C |
| Boiling Point | 105 °C |
| Density | 0.846-0.853 |
| Density | 0.830-0.837 |
| Refractive Index | 1.446-1.452 |
| Refractive Index | 1.474-1.484 |
1-Methyl-1,3-cyclohexadiene; 1-Methylcyclohexa-1,3-diene; 1489-56-1; 5,6-Dihydrotoluene; Methylcyclohexadiene; 2,3-Dihydrotoluene; 1,3-Cyclohexadiene, 1-methyl-; 30640-46-1; Cyclohexadiene, methyl-; lemon hexadiene; NZ9H475GT1; EINECS 216-071-8; DTXSID70892095; EINECS 250-269-5; Limediene; FEMA NO. 4311, METHYLCYCLOHEXADIENE-
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent ">RS 952-JECFA 69/150 |
|---|
| Reported hazard statements | H225 (100%), H304 (56.5%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H304 (56.5%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
methylcyclohexadiene · CAS 30640-46-1 · C7H10. UNII NZ9H475GT1. Boiling Point: 118.00 to 120.00 °C. @ 760.00 mm Hg; Boiling Point: 118-120 °C; Boiling Point: 105 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 甲基环己二烯