cis-3-Hexen-1-ol (CAS 928-96-1) — formula C6H12O, molecular weight 100.09 g/mol.
| CAS Number | 928-96-1 |
|---|---|
| Molecular Formula | C6H12O |
| Molecular Weight | 100.09 g/mol |
| Boiling Point | 156-157 °C |
| LogP | 1.3 |
| Applications | Uses: In public use since the 1940's. In the United States, use in fragrances amounts to less than 20, 000 lbs, year., Odorant in perfumery, Used to obtain natural green top notes in perfumes and flavors. In addition, it is the starting material for the synthesis of 2-trans-6-cis-nonadien-1-ol and 2-trans-6-cis-nonadien-1-al., Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#8255], Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Solvent, Humectant, Viscosity controlling, Industry Uses: Fragrance, Other, Consumer Uses: Other, Fragrance, Household Products: Information on 80 consumer products that contain 3-Hexenol in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, Methods of Manufacturing: Preparation by the reaction of butyne-1 with ethylene oxide and subsequent selective reduction to the cis isomer., Extracted from various essential oils and purified by reacting it to the corresponding phthalate or allophanate., A stereospecific synthesis for cis-3-hexen-1-ol starts with the ethylation of sodium acetylide to 1-butyne, which is reacted with ethylene oxide to give 3-hexyn-1-ol. Selective hydrogenation of the triple bond in the presence of palladium catalysts yields cis-3-hexen-1-ol., U.S. Production: 2023: 8, 500, 000 - <10, 000, 000 lb, 2022: 8, 2021: 8, 2020: 8, Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 3-Hexen-1-ol, (3Z)-. National Production Volume: 100, 000 - 500, yr., General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing, Plastics Material and Resin Manufacturing, Other (requires additional information), Soap, Cleaning Compound, and Toilet Preparation Manufacturing, 3-Hexen-1-ol, (3Z)-: ACTIVE, Reported to be found in several essential oils and in many fruit juices. |
Documented applications: Uses: In public use since the 1940's. In the United States, use in fragrances amounts to less than 20, 000 lbs, year., Odorant in perfumery, Used to obtain natural green top notes in perfumes and flavors. In addition, it is the starting material for the synthesis of 2-trans-6-cis-nonadien-1-ol and 2-trans-6-cis-nonadien-1-al., Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#8255], Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Solvent, Humectant, Viscosity controlling, Industry Uses: Fragrance, Other, Consumer Uses: Other, Fragrance, Household Products: Information on 80 consumer products that contain 3-Hexenol in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, Methods of Manufacturing: Preparation by the reaction of butyne-1 with ethylene oxide and subsequent selective reduction to the cis isomer., Extracted from various essential oils and purified by reacting it to the corresponding phthalate or allophanate., A stereospecific synthesis for cis-3-hexen-1-ol starts with the ethylation of sodium acetylide to 1-butyne, which is reacted with ethylene oxide to give 3-hexyn-1-ol. Selective hydrogenation of the triple bond in the presence of palladium catalysts yields cis-3-hexen-1-ol., U.S. Production: 2023: 8, 500, 000 - <10, 000, 000 lb, 2022: 8, 2021: 8, 2020: 8, Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 3-Hexen-1-ol, (3Z)-. National Production Volume: 100, 000 - 500, yr., General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing, Plastics Material and Resin Manufacturing, Other (requires additional information), Soap, Cleaning Compound, and Toilet Preparation Manufacturing, 3-Hexen-1-ol, (3Z)-: ACTIVE, Reported to be found in several essential oils and in many fruit juices..
cis-3-Hexen-1-ol is a chemical compound with CAS registry number 928-96-1 and molecular formula C6H12O (molecular weight 100.09 g/mol).
CAS number: 928-96-1
Its molecular formula C6H12O comprises 6 C, 12 H, 1 O atoms.
Also known as: cis-3-Hexen-1-ol · cis-3-Hexenol · Cis-3-hexenol natural · cis-Hex-3-en-1-ol
The CAS registry number of cis-3-Hexen-1-ol is 928-96-1.
Molecular formula C6H12O, molecular weight 100.09 g/mol.
It is also registered under: cis-3-Hexen-1-ol, cis-3-Hexenol, Cis-3-hexenol natural, cis-Hex-3-en-1-ol.
Recorded applications: Uses: In public use since the 1940's. In the United States, use in fragrances amounts to less than 20, 000 lbs, year., Odorant in perfumery, Used to obtain natural green top notes in perfumes and flavors. In addition, it is the starting material for the synthesis of 2-trans-6-cis-nonadien-1-ol and 2-trans-6-cis-nonadien-1-al., Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#8255], Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Solvent, Humectant, Viscosity controlling, Industry Uses: Fragrance, Other, Consumer Uses: Other, Fragrance, Household Products: Information on 80 consumer products that contain 3-Hexenol in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, Methods of Manufacturing: Preparation by the reaction of butyne-1 with ethylene oxide and subsequent selective reduction to the cis isomer., Extracted from various essential oils and purified by reacting it to the corresponding phthalate or allophanate., A stereospecific synthesis for cis-3-hexen-1-ol starts with the ethylation of sodium acetylide to 1-butyne, which is reacted with ethylene oxide to give 3-hexyn-1-ol. Selective hydrogenation of the triple bond in the presence of palladium catalysts yields cis-3-hexen-1-ol., U.S. Production: 2023: 8, 500, 000 - <10, 000, 000 lb, 2022: 8, 2021: 8, 2020: 8, Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 3-Hexen-1-ol, (3Z)-. National Production Volume: 100, 000 - 500, yr., General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing, Plastics Material and Resin Manufacturing, Other (requires additional information), Soap, Cleaning Compound, and Toilet Preparation Manufacturing, 3-Hexen-1-ol, (3Z)-: ACTIVE, Reported to be found in several essential oils and in many fruit juices..
Independent reference data for cis-3-Hexen-1-ol (CAS 928-96-1), compiled from public chemistry databases.
| CAS Registry Number | 928-96-1 |
|---|---|
| PubChem CID | 5281167 |
| Molecular formula | C6H12O |
| Molecular weight | 100.09 g/mol |
| IUPAC name | (Z)-hex-3-en-1-ol |
| InChIKey | UFLHIIWVXFIJGU-ARJAWSKDSA-N |
| UNII (FDA) | V14F8G75P4 |
| ChEBI ID | CHEBI:28857 |
| FEMA number | 2563 |
| JECFA number | 315 |
| Molecular Weight | 100.16 |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 100.088815002 |
| Monoisotopic Mass | 100.088815002 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 7 |
| Boiling Point | 156-157 °C |
|---|---|
| Boiling Point | 156.50 °C. @ 760.00 mm Hg |
| Boiling Point | 156 °C |
| Density | 0.846 at 22/15 °C |
| Density | 0.846-0.850 |
| Refractive Index | 1.439-1.441 |
cis-3-Hexen-1-ol; 928-96-1; (Z)-Hex-3-en-1-ol; Leaf alcohol; cis-3-Hexenol; (Z)-3-Hexen-1-ol; Blatteralkohol; Z-3-Hexenol; 3-Hexenol; (3Z)-hex-3-en-1-ol; 3-Hexen-1-ol, (Z)-; 3-Hexen-1-ol, cis-; 3-Hexen-1-ol, (3Z)-; beta-gamma-Hexenol; 3-Hexenol, cis-; (Z)-3-HEXENOL
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Grass, Green Fruit, Green Leaf, Herb, Unripe Banana No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.3% (6 / 2076) |
| GHS notification summary | 0.3% (6 / 2076) |
|---|---|
| Reported hazard statements | H226 (99.2%), H319 (83.6%) |
This chemical does not meet GHS hazard criteria for 0.3% (6 of 2076) of reports.
H226 (99.2%): Flammable liquid and vapor [Warning Flammable liquids]
cis-3-Hexen-1-ol is identified by CAS 928-96-1, molecular formula C6H12O and molecular weight 100.09 g/mol. UNII V14F8G75P4; ChEBI 28857; InChIKey UFLHIIWVXFIJGU-ARJAWSKDSA-N. Boiling Point: 156-157 °C; Boiling Point: 156.50 °C. @ 760.00 mm Hg; Boiling Point: 156 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
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