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2-壬酸甲酯

CAS 111-80-8C10H16O2MW 168.23

2-壬酸甲酯(CAS 111-80-8):分子式 C10H16O2、分子量 168.23。

产品概览

CAS号111-80-8
分子式C10H16O2
分子量168.23
沸点121.00 to 122.00 °C. @ 20.00 mm Hg
LogP3.7
应用领域Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Information on 16 consumer products that contain Methyl Octine Carbonate in the following categories is provided:、• Auto Products、• Inside the Home、IFRA Fragrance Standards: Methyl octine carbonate、Methyl octyne carbonate、Methyl 2-nonynoate、2-Nonynoic acid、methyl ester、MOC、IFRA_STD_064.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、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.、When used in the same fragrance compound within a specific QRA category、the sum total of and Methyl heptine carbonate (MHC、CAS number 111-12-6) and Methyl octine carbonate (MOC、CAS number 111-80-8) contributions must not exceed the maximum permitted level for MHC. At the same time、the contribution from MOC should always respect the maximum levels permitted as listed in the table above.、Restriction Limits in the Finished Product (%): 0.0018 [Products applied to the lips]、0.00055 [Products applied to the axillae]、0.011 [Products applied to the face、body using fingertips]、0.01 [Products related to fine fragrances]、0.0026 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.0026 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.0026 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.0026 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.0061 [Products with oral and lip exposure]、0.021 [Rinse-off products applied to the hair with some hand contact]、0.021 [Leave-on products applied to the hair with some hand contact]、0.0011 [Products with significant anogenital exposure (tampon)]、0.02 [Products with body and hand exposure、primarily rinse off]、0.072 [Household care products with mostly hand contact (excluding aerosol、spray products)]、0.072 [Household care products with mostly hand contact (household aerosol、0.04 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、0.04 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure]、No Restriction [Other air care products not intended for direct skin contact、minimal or insignificant transfer to skin]、U.S. Production: 2023: 19、263 lb、2022: 22、122 lb、2021: 27、065 lb、2020: 34、549 lb、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing、methyl ester: ACTIVE

应用领域

登记用途:Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Information on 16 consumer products that contain Methyl Octine Carbonate in the following categories is provided:、• Auto Products、• Inside the Home、IFRA Fragrance Standards: Methyl octine carbonate、Methyl octyne carbonate、Methyl 2-nonynoate、2-Nonynoic acid、methyl ester、MOC、IFRA_STD_064.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、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.、When used in the same fragrance compound within a specific QRA category、the sum total of and Methyl heptine carbonate (MHC、CAS number 111-12-6) and Methyl octine carbonate (MOC、CAS number 111-80-8) contributions must not exceed the maximum permitted level for MHC. At the same time、the contribution from MOC should always respect the maximum levels permitted as listed in the table above.、Restriction Limits in the Finished Product (%): 0.0018 [Products applied to the lips]、0.00055 [Products applied to the axillae]、0.011 [Products applied to the face、body using fingertips]、0.01 [Products related to fine fragrances]、0.0026 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.0026 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.0026 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.0026 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.0061 [Products with oral and lip exposure]、0.021 [Rinse-off products applied to the hair with some hand contact]、0.021 [Leave-on products applied to the hair with some hand contact]、0.0011 [Products with significant anogenital exposure (tampon)]、0.02 [Products with body and hand exposure、primarily rinse off]、0.072 [Household care products with mostly hand contact (excluding aerosol、spray products)]、0.072 [Household care products with mostly hand contact (household aerosol、0.04 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、0.04 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure]、No Restriction [Other air care products not intended for direct skin contact、minimal or insignificant transfer to skin]、U.S. Production: 2023: 19、263 lb、2022: 22、122 lb、2021: 27、065 lb、2020: 34、549 lb、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing、methyl ester: ACTIVE。

技术档案

这个产品是什么

2-壬酸甲酯 是一种化工化合物,登记 CAS 号为 111-80-8,分子式 C10H16O2(分子量 168.23)。

识别信息

登记 CAS 号:111-80-8

其分子式 C10H16O2 由 10 个碳、16 个氢、2 个氧 组成。

别名/同义词:2-壬酸甲酯 · Methyl 2-nonynoate · Methyl octyne carbonate

常见问题

2-壬酸甲酯 的 CAS 号是多少?

2-壬酸甲酯 的 CAS 登记号为 111-80-8。

2-壬酸甲酯 的分子式与分子量是多少?

分子式 C10H16O2,分子量 168.23。

2-壬酸甲酯 还有哪些别名?

别名/同义词:2-壬酸甲酯、Methyl 2-nonynoate、Methyl octyne carbonate。

2-壬酸甲酯 的登记用途是什么?

登记用途:Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Information on 16 consumer products that contain Methyl Octine Carbonate in the following categories is provided:、• Auto Products、• Inside the Home、IFRA Fragrance Standards: Methyl octine carbonate、Methyl octyne carbonate、Methyl 2-nonynoate、2-Nonynoic acid、methyl ester、MOC、IFRA_STD_064.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、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.、When used in the same fragrance compound within a specific QRA category、the sum total of and Methyl heptine carbonate (MHC、CAS number 111-12-6) and Methyl octine carbonate (MOC、CAS number 111-80-8) contributions must not exceed the maximum permitted level for MHC. At the same time、the contribution from MOC should always respect the maximum levels permitted as listed in the table above.、Restriction Limits in the Finished Product (%): 0.0018 [Products applied to the lips]、0.00055 [Products applied to the axillae]、0.011 [Products applied to the face、body using fingertips]、0.01 [Products related to fine fragrances]、0.0026 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.0026 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.0026 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.0026 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.0061 [Products with oral and lip exposure]、0.021 [Rinse-off products applied to the hair with some hand contact]、0.021 [Leave-on products applied to the hair with some hand contact]、0.0011 [Products with significant anogenital exposure (tampon)]、0.02 [Products with body and hand exposure、primarily rinse off]、0.072 [Household care products with mostly hand contact (excluding aerosol、spray products)]、0.072 [Household care products with mostly hand contact (household aerosol、0.04 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、0.04 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure]、No Restriction [Other air care products not intended for direct skin contact、minimal or insignificant transfer to skin]、U.S. Production: 2023: 19、263 lb、2022: 22、122 lb、2021: 27、065 lb、2020: 34、549 lb、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing、methyl ester: ACTIVE。

PubChem 公开数据

2-壬酸甲酯(CAS 111-80-8)的独立参考数据,整理自公开化学数据库。

各数据库的登记标识

CAS Registry Number111-80-8
PubChem CID8137
Molecular formulaC10H16O2
Molecular weight168.12 g/mol
IUPAC namemethyl non-2-ynoate
InChIKeyNTLJTUMJJWVCTL-UHFFFAOYSA-N
UNII (FDA)8RN66UR57V
ChEBI IDCHEBI:51749
FEMA number2726
JECFA number1356

计算分子描述符

Molecular Weight168.23
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass168.115029749
Monoisotopic Mass168.115029749
Topological Polar Surface Area26.3
Heavy Atom Count12

在册的理化数值

Boiling Point121.00 to 122.00 °C. @ 20.00 mm Hg
Boiling Point121-122 °C (20 mm Hg)
Density0.913-0.916
Refractive Index1.445-1.451

在册的记载用途

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    同义词与商品名

    Methyl 2-nonynoate; Methyl non-2-ynoate; 111-80-8; Methyl octine carbonate; 2-Nonynoic acid methyl ester; 2-NONYNOIC ACID, METHYL ESTER; Methyl octyne carbonate; Methyloctyne carboxylate; Methyloctyne carbonate; Octynecarboxylic acid, methyl ester; FEMA No. 2726; DTXSID3047639; 8RN66UR57V; NSC-72102; DTXCID1027639; CHEBI:51749

    已收录的法规名录

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Green
    No safety concern at current levels of intake when used as a flavouring agent

    GHS 危害分类

    Reported hazard statementsH302 (99.6%), H315 (74.8%), H317 (97.8%), H400 (74.9%), H412 (74.9%)

    H302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]

    H315 (74.8%): Causes skin irritation [Warning Skin corrosion/irritation]

    公开数据库对它的描述

    Methyl octyne carbonate is identified by CAS 111-80-8, molecular formula C10H16O2 and molecular weight 168.12 g/mol. UNII 8RN66UR57V; ChEBI 51749; InChIKey NTLJTUMJJWVCTL-UHFFFAOYSA-N. Boiling Point: 121.00 to 122.00 °C. @ 20.00 mm Hg; Boiling Point: 121-122 °C (20 mm Hg); Density: 0.913-0.916.

    物理形态与操作说明

    数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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