cis-3-Hexen-1-ol (CAS 928-96-1) — formula C6H12O, molecular weight 100.09 g/mol.
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..
Public-database records for cis-3-Hexen-1-ol (CAS 928-96-1), reproduced here for independent cross-checking.
| 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]
| 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) |
| 沸点 | 156-157 °C |
|---|---|
| 沸点 | 156.50 °C. @ 760.00 mm Hg |
| 沸点 | 156 °C |
| 密度 | 0.846 at 22/15 °C |
| 密度 | 0.846-0.850 |
| 折射率 | 1.439-1.441 |
| CAS Registry Number | 928-96-1 |
|---|---|
| PubChem CID | 5281167 |
| 分子式 | C6H12O |
| 分子量 | 100.09 g/mol |
| IUPAC 名称 | (Z)-hex-3-en-1-ol |
| InChIKey | UFLHIIWVXFIJGU-ARJAWSKDSA-N |
| UNII（FDA） | V14F8G75P4 |
| ChEBI 编号 | CHEBI:28857 |
| FEMA 编号 | 2563 |
| JECFA 编号 | 315 |
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
| 分子量 | 100.16 |
|---|---|
| XLogP3 | 1.3 |
| 氢键供体数 | 1 |
| 氢键受体数 | 1 |
| 可旋转键数 | 3 |
| 精确质量 | 100.088815002 |
| 单同位素质量 | 100.088815002 |
| 拓扑极性表面积 | 20.2 |
| 重原子数 | 7 |
| 形式电荷 | 0 |
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. 沸点: 156-157 °C; 沸点: 156.50 °C. @ 760.00 mm Hg; 沸点: 156 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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